Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CALCA | P06881 | 2/20 | 0.34 |
| ▸ | MET | P08581 | 6/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13747457 | 0.80 | BACE1 (0.40) | CALCAOPRM1PLK4AURKACHEK2 | |
| SCHEMBL1700112 | 0.79 | CALCA (0.49) | CALCAMET | |
| SCHEMBL15935940 | 0.77 | KCNH2 (0.38) | OPRM1PLK4AURKACHEK2LCK | |
| SCHEMBL15935919 | 0.76 | SIGMAR1 (0.39) | CYP3A4 | |
| SCHEMBL15935916 | 0.72 | FGFR1 (0.38) | CYP1A2CALCAMETMAPK14FGFR1 | |
| SCHEMBL13686002 | 0.71 | PDK2 (0.41) | NR3C2PLK4AURKACHEK2LCK | |
| SCHEMBL15935920 | 0.71 | FGFR1 (0.38) | CYP1A2CALCAMETMAPK14FGFR1 | |
| SCHEMBL1700315 | 0.69 | OPRM1 (0.58) | NR3C2CYP3A4CYP2D6CYP2C9OPRM1 | |
| SCHEMBL13804177 | 0.67 | OPRM1 (0.62) | OPRM1OPRK1OPRL1DRD4KDM4E | |
| SCHEMBL9966028 | 0.67 | MAPK14 (0.51) | CYP1A2METMAPK14NR3C2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796260-B2 | Imidazobenzazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-08-05 | — | — | US | disclosed |