Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 3/20 | 0.51 |
| ▸ | AURKA | O14965 | 4/20 | 0.50 |
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | CCNC | P24863 | 1/20 | 0.50 |
| ▸ | CDK8 | P49336 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | CTSC | P53634 | 1/20 | 0.47 |
| ▸ | MYLK | Q15746 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11551000 | 0.75 | CDC7 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL19892582 | 0.75 | FABP1 (0.61) | AURKAAPPROCK1TSHRRPS6KB1 | |
| SCHEMBL29622847 | 0.75 | JAK3 (0.53) | AURKASLC2A1 | |
| SCHEMBL22579188 | 0.73 | KDM4E (0.63) | APPROCK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10051487 | 0.73 | VNN1 (0.47) | AURKAAPPCCNCCDK8SLC2A1 | |
| SCHEMBL5914257 | 0.72 | MAPT (0.45) | HTR7AURKACCNCCDK8CTSC | |
| SCHEMBL5606358 | 0.71 | TAAR1 (0.44) | AURKACCNCCDK8ROCK1CTSC | |
| SCHEMBL4372794 | 0.70 | MYLK (0.60) | HTR7CCNCCDK8MYLKCYP2D6 | |
| SCHEMBL15918678 | 0.70 | CYP1A2 (0.44) | AURKACCNCCDK8ROCK1CYP1A2 | |
| SCHEMBL7020600 | 0.70 | MKNK2 (0.63) | HTR7CCNCCDK8 |
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-1280781-A4 | 5-HT 7 RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2003-08-06 | — | — | EP | claimed |
| EP-1280781-A1 | 5-HT 7 RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2003-02-05 | — | — | EP | claimed |
| WO-2001085701-A1 | 5-HT7 RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-11-15 | — | — | WO | claimed |