Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 2/20 | 0.40 |
| ▸ | HRAS | P01112 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL15385155 | 1.00 | TOP1 (0.40) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL5001090 | 1.00 | TOP1 (0.40) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL1845748 | 0.94 | MAPK14 (0.39) | NAMPTPRKDCDRD2MAPK14ACHE | |
| SCHEMBL19739304 | 0.90 | CYP17A1 (0.44) | P2RY12NAMPTPRKDCDRD2MAPK14 | |
| SCHEMBL13879751 | 0.90 | P2RY12 (0.38) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL20086569 | 0.90 | NAMPT (0.47) | MAPTP2RY12NAMPTHPSEPRKDC | |
| SCHEMBL14355717 | 0.89 | TOP1 (0.40) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL29790433 | 0.89 | NAMPT (0.47) | POLBMAPTNAMPTPRKDCDRD2 | |
| SCHEMBL3939869 | 0.88 | P2RY12 (0.42) | TOP1HRASESR1ESR2KDM4E | |
| SCHEMBL3929339 | 0.88 | P2RY12 (0.42) | TOP1HRASESR1ESR2KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637664-B2 | Alkyl 4- [4- (5-oxo-2,3,5, 11a-tetrahydo-5H-pyrrolo [2, 1-c] [1,4] benzodiazepine-8-yloxy)-butyrylamino]-1H-pyrrole-2-carboxylate derivatives and related compounds for the treatment of a proliferative disease | SPIROGEN SARL (CH) | 2014-01-28 | — | — | US | disclosed |
| US-20080214525-A1 | Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease | SPIROGEN LIMITED (GB) | 2008-09-04 | — | — | US | disclosed |
| US-7301037-B2 | Charged compounds comprising a nucleic acid binding moiety and uses therefor | GENESOFT, INC. (US) | 2007-11-27 | — | — | US | disclosed |
| US-20070154906-A1 | Methods to identify therapeutic candidates | SPIROGEN LTD. (GB) | 2007-07-05 | — | — | US | disclosed |
| US-20070105135-A1 | Charged compounds comprising a nucleic acid binding moiety and uses therefor | GENESOFT PHARMACEUTICALS, INC. (US) | 2007-05-10 | — | — | US | disclosed |
| US-20040029810-A1 | Process for preparing distamycin derivatives | PHARMACIA ITALIA S.P.A. (IT) | 2004-02-12 | — | — | US | disclosed |
| EP-1311481-A1 | PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES | Pharmacia Italia S.p.A. (IT) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002008184-A1 | PROCESS FOR PREPARING DISTAMYCIN DERIVATIVES | PHARMACIA ITALIA S.P.A. (IT) | 2002-01-31 | — | — | 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-20040029810-A1 | Process for preparing distamycin derivatives | RPN2, DHPS, MYD88 | TOP1 168/4885HRAS 293/4885ESR1 3897/4885 |
| US-20070105135-A1 | Charged compounds comprising a nucleic acid binding moiety and uses therefor | POLRMT, PCNA, SARS1 | TOP1 248/4885HRAS 1275/4885ESR1 3945/4885 |
| US-20080214525-A1 | Alkyl 4- [4- (5-Oxo-2,3,5, 11A-Tetrahydo-5H-Pyrrolo [2, 1-C] [1,4] Benzodiazepine-8-Yloxy) -Butyrylamino]-1H-Pyrrole-2-Carboxylate Derivatives and Related Compounds For the Treatment of a Proliferative Disease | CCNY, NR0B1, CNR1 | TOP1 713/4885HRAS 908/4885ESR1 1797/4885 |
“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.