Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL15581111 | 0.94 | CYP2A6 (0.60) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL9568286 | 0.93 | KDM4E (0.62) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29940036 | 0.93 | KDM4E (0.62) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL599006 | 0.91 | CYP2A6 (0.79) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29451111 | 0.91 | CYP2A6 (0.79) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL28025 | 0.89 | KDM4E (0.59) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL29406959 | 0.89 | KDM4E (0.59) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL15960260 | 0.88 | ALDH1A1 (0.70) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL9088279 | 0.86 | KDM4E (0.57) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| Terephthalic Acid SCHEMBL8964865 | 0.86 | TSHR (0.63) | CYP2A6KDM4EALDH1A1MAPTHPGD |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170008915-A1 | ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2017-01-12 | — | — | US | disclosed |
| US-20170008915-A1 | ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2017-01-12 | — | — | US | disclosed |
| CN-101044114-B | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD. (NZ) | 2012-02-15 | — | — | CN | disclosed |
| US-7718688-B2 | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-05-18 | — | — | US | disclosed |
| EP-1809603-A4 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LTD (NZ) | 2009-09-02 | — | — | EP | disclosed |
| US-20080119442-A1 | as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization | AUCKLAND UNISERVICES LIMITED (NZ) | 2008-05-22 | — | — | US | disclosed |
| CN-101044114-A | Nitrobenzindoles and their use in cancer therapy | AUCKLAND UNISERVICES LTD (NZ) | 2007-09-26 | — | — | CN | disclosed |
| EP-1809603-A1 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006043839-A1 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2006-04-27 | — | — | 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 (2 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-20080119442-A1 | as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization | HIF1AN, HYOU1, HIF1A | CYP2A6 202/4885KDM4E 856/4885ALDH1A1 77/4885 |
| US-20170008915-A1 | ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS | HAO2, ASF1A, FTO | CYP2A6 1719/4885KDM4E 1139/4885ALDH1A1 639/4885 |
“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.