Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 4/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2974875 | 0.95 | PRMT5 (0.37) | NPC1CYP3A4THRATHRBPRMT5 | |
| SCHEMBL2977036 | 0.94 | NPC1 (0.40) | NPC1CYP3A4THRATHRBPRMT5 | |
| SCHEMBL365998 | 0.89 | NPC1 (0.37) | NPC1CYP3A4THRATHRBPRMT5 | |
| SCHEMBL15573655 | 0.85 | NPC1 (0.39) | NPC1CYP3A4THRATHRBPRMT5 | |
| SCHEMBL2962264 | 0.84 | POLB (0.41) | NPC1CYP3A4THRATHRBALDH1A1 | |
| SCHEMBL3579943 | 0.82 | KMT2A (0.40) | NPC1CYP3A4THRATHRBPRMT5 | |
| SCHEMBL18506127 | 0.82 | NPC1 (0.40) | NPC1CYP3A4THRATHRBPRMT5 | |
| SCHEMBL2966761 | 0.82 | VCAM1 (0.43) | NPC1THRBALDH1A1KDM4EPOLB | |
| SCHEMBL3582844 | 0.82 | ALDH1A1 (0.39) | NPC1CYP3A4PRMT5WDR77ALDH1A1 | |
| SCHEMBL3585523 | 0.82 | PRMT5 (0.40) | NPC1CYP3A4PRMT5WDR77ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20050256191-A1 | Nitroaniline-based alkylating agents and their use as prodrugs | AUCKLAND UNISERVICES LIMITED (NZ) | 2005-11-17 | — | — | US | 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 | NPC1 1938/4885CYP3A4 317/4885THRA 3840/4885 |
| US-20070032455-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | NAPRT, NTPCR, PNP | NPC1 1359/4885CYP3A4 477/4885THRA 3130/4885 |
| US-20100010094-A1 | Novel nitrophenyl mustard and nitrophenylaziridine alcohols and their corresponding phosphates and their use as targeted cytotoxic agents | NAPRT, NTPCR, QDPR | NPC1 1461/4885CYP3A4 588/4885THRA 3012/4885 |
“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.