Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.42 |
| ▸ | TOP1 | P11387 | 2/20 | 0.39 |
| ▸ | HRAS | P01112 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | LEF1 | Q9UJU2 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 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 | |
|---|---|---|---|---|
| SCHEMBL2028885 | 1.00 | P2RY12 (0.42) | P2RY12TOP1HRASESR1ESR2 | |
| SCHEMBL3943496 | 1.00 | P2RY12 (0.42) | P2RY12TOP1HRASESR1ESR2 | |
| SCHEMBL4636432 | 1.00 | P2RY12 (0.42) | P2RY12TOP1HRASESR1ESR2 | |
| SCHEMBL3939869 | 1.00 | P2RY12 (0.42) | P2RY12TOP1HRASESR1ESR2 | |
| SCHEMBL2392134 | 0.95 | HDAC3 (0.39) | P2RY12KDM4ELEF1HDAC3HDAC1 | |
| SCHEMBL13879756 | 0.92 | P2RY12 (0.38) | P2RY12TOP1HRASESR1ESR2 | |
| SCHEMBL18574370 | 0.90 | CYP17A1 (0.43) | P2RY12MAPTLEF1RXFP1NAMPT | |
| SCHEMBL2028706 | 0.90 | CYP17A1 (0.43) | P2RY12MAPTLEF1RXFP1NAMPT | |
| SCHEMBL16710923 | 0.90 | CYP17A1 (0.43) | P2RY12MAPTLEF1RXFP1NAMPT | |
| SCHEMBL18574436 | 0.89 | RXFP1 (0.50) | MAPTKDM4ERXFP1NAMPTLMNA |
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-20190084928-A1 | METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND | NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) | 2019-03-21 | — | — | US | disclosed |
| 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 |
| EP-1931671-B1 | ALKYL 4- [4- (5-OXO-2, 3, 5, 11A-TETRAHYD0-5H-PYRR0L0 [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 LTD (GB) | 2009-04-08 | — | — | EP | 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-20070154906-A1 | Methods to identify therapeutic candidates | SPIROGEN LTD. (GB) | 2007-07-05 | — | — | 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 (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-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 | P2RY12 3903/4885TOP1 713/4885HRAS 908/4885 |
| US-20190084928-A1 | METHOD FOR PRODUCING NITROGEN-CONTAINING AROMATIC AMIDE, METHOD FOR PRODUCING PYRROLE-IMIDAZOLE POLYAMIDE, AND COMPOUND | NIT2, NAAA, NOS2 | P2RY12 4393/4885TOP1 2549/4885HRAS 4037/4885 |
“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.