Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3585523 | 0.93 | PRMT5 (0.40) | ALDH1A1KDM4ECYP3A4NPC1TSHR | |
| SCHEMBL3574074 | 0.92 | PRMT5 (0.39) | ALDH1A1KDM4ECYP3A4NPC1RAB9A | |
| SCHEMBL2364343 | 0.91 | PRMT5 (0.39) | ALDH1A1KDM4ECYP3A4NPC1RAB9A | |
| SCHEMBL3582071 | 0.91 | PRMT5 (0.39) | ALDH1A1KDM4ECYP3A4NPC1RAB9A | |
| SCHEMBL365998 | 0.88 | NPC1 (0.37) | ALDH1A1KDM4ECYP3A4NPC1TSHR | |
| SCHEMBL8761948 | 0.88 | ALDH1A1 (0.41) | ALDH1A1KDM4ECYP3A4NPC1TSHR | |
| SCHEMBL2350608 | 0.88 | ALDH1A1 (0.41) | ALDH1A1KDM4ECYP3A4NPC1TSHR | |
| SCHEMBL3582937 | 0.86 | NPC1 (0.38) | CYP3A4NPC1TSHRPOLBPRMT5 | |
| SCHEMBL2966239 | 0.84 | POLB (0.41) | ALDH1A1KDM4ECYP3A4NPC1RAB9A | |
| SCHEMBL2364823 | 0.82 | NPC1 (0.38) | ALDH1A1CYP3A4NPC1RAB9APOLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100010094-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-01-14 | — | — | US | claimed |
| US-20070032455-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNIVERVICES LIMITED (NZ) | 2007-02-08 | — | — | US | claimed |
| US-10357577-B2 | Bacterial nitroreductase enzymes and methods relating thereto | AUCKLAND UNISERVICES LIMITED (NZ) | 2019-07-23 | — | — | US | disclosed |
| US-20130295011-A1 | BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO | VICTORIA LINK LIMITED (NZ) | 2013-11-07 | — | — | US | disclosed |
| EP-2593796-A2 | BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO | Auckland Uniservices Limited (NZ) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012008860-A2 | BACTERIAL NITROREDUCTASE ENZYMES AND METHODS RELATING THERETO | AUCKLAND UNISERVICES LIMITED (NZ) | 2012-01-19 | — | — | WO | disclosed |
| US-7776924-B2 | Nitroaniline-based alkylating agents and their use as prodrugs | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-08-17 | — | — | US | disclosed |
| US-20100010094-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-01-14 | — | — | US | disclosed |
| US-7629332-B2 | Nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-12-08 | — | — | US | disclosed |
| US-20070032455-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNIVERVICES LIMITED (NZ) | 2007-02-08 | — | — | US | disclosed |
| US-20070032455-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | AUCKLAND UNIVERVICES LIMITED (NZ) | 2007-02-08 | — | — | US | disclosed |
| EP-1558568-A4 | NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS | AUCKLAND UNISERVICES LTD (NZ) | 2006-10-18 | — | — | EP | disclosed |
| EP-1680394-A4 | NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LTD (NZ) | 2006-10-11 | — | — | EP | disclosed |
| EP-1680394-A1 | NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | Auckland Uniservices Limited (NZ) | 2006-07-19 | — | — | EP | disclosed |
| US-20050256191-A1 | Nitroaniline-based alkylating agents and their use as prodrugs | AUCKLAND UNISERVICES LIMITED (NZ) | 2005-11-17 | — | — | US | disclosed |
| EP-1558568-A1 | NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS | Auckland Uniservices Limited (NZ) | 2005-08-03 | — | — | EP | disclosed |
| WO-2005042471-A1 | NOVEL NITROPHENYL MUSTARD AND NITROPHENYLAZIRIDINE ALCOHOLS AND THEIR CORRESPONDING PHOSPHATES AND THEIR USE AS TARGETED CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 2005-05-12 | — | — | WO | disclosed |
| WO-2004033415-A1 | NITROANILINE-BASED ALKYLATING AGENTS AND THEIR USE AS PRODRUGS | AUCKLAND UNISERVICES LIMITED (NZ) | 2004-04-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050256191-A1 | Nitroaniline-based alkylating agents and their use as prodrugs | IDH3A, HIF1AN, IDH1 | ALDH1A1 325/4885KDM4E 1057/4885CYP3A4 317/4885 |
| US-20070032455-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | NAPRT, NTPCR, PNP | ALDH1A1 184/4885KDM4E 1572/4885CYP3A4 477/4885 |
| US-20100010094-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | NAPRT, NTPCR, QDPR | ALDH1A1 164/4885KDM4E 1225/4885CYP3A4 588/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.