Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 7/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4514849 | 0.84 | ALDH1A1 (0.48) | GRIN2BCXCR4PTGESMEN1KMT2A | |
| SCHEMBL662411 | 0.74 | GRIN2B (0.76) | GRIN2BTAAR1ROCK2ROCK1OPRM1 | |
| SCHEMBL17818379 | 0.73 | EPHX2 (0.55) | PTGESSIGMAR1KMT2A | |
| SCHEMBL29829192 | 0.71 | TAAR1 (0.52) | TAAR1KDM4EMAPK1 | |
| SCHEMBL14412125 | 0.70 | TAAR1 (0.55) | GRIN2BTAAR1CXCR4KDM4E | |
| SCHEMBL4523282 | 0.70 | POLB (0.64) | GRIN2BCXCR4SIGMAR1MEN1KMT2A | |
| SCHEMBL3838668 | 0.69 | CA12 (0.44) | — | |
| SCHEMBL25811088 | 0.69 | LIPG (0.58) | GRIN2BTAAR1ROCK2ROCK1OPRM1 | |
| SCHEMBL18616209 | 0.69 | HTR2C (0.39) | ROCK2OPRM1OPRL1SIGMAR1 | |
| SCHEMBL1798499 | 0.69 | TAAR1 (0.61) | GRIN2BTAAR1CXCR4MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1699775-A2 | COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME | Allergan, Inc. (US) | 2006-09-13 | — | — | EP | disclosed |
| WO-2005058798-A2 | COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME | ALLERGAN, INC. (US) | 2005-06-30 | — | — | WO | disclosed |