Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.60 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.53 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.49 |
| ▸ | TSHR | P16473 | 10/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | APLNR | P35414 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28595894 | 0.83 | CYP1A2 (0.55) | KDM4CERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL1920358 | 0.81 | CYP19A1 (0.48) | PRKACAGSK3AGSK3BROCK1TSHR | |
| SCHEMBL31620304 | 0.80 | ERBB2 (0.50) | KDM4CERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL23598712 | 0.78 | APLNR (0.51) | KDM4CERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL29824145 | 0.78 | APLNR (0.51) | KDM4CERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL1197943 | 0.76 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL1198126 | 0.76 | CYP1A2 (0.53) | KDM4CERBB2PRKACARPS6KB1GSK3A | |
| SCHEMBL30905528 | 0.76 | CYP1A2 (0.50) | KDM4CCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27402491 | 0.76 | CYP1A2 (0.50) | KDM4CCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL15839750 | 0.75 | KDM4C (1.00) | KDM4CERBB2PRKACARPS6KB1GSK3A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641423-A4 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-09-10 | — | — | EP | disclosed |
| EP-1641423-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005013894-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-02-17 | — | — | WO | disclosed |