Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL31146306 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL6557195 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2 | |
| SCHEMBL29535627 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2 | |
| SCHEMBL8281092 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2 | |
| SCHEMBL8361373 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2 | |
| SCHEMBL24474072 | 0.84 | KMT2A (0.56) | CYP1A2CYP2C9CYP2C19RAB9ANPC1 | |
| SCHEMBL29486454 | 0.84 | AR (0.56) | CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2 | |
| SCHEMBL6540259 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2 | |
| SCHEMBL8530877 | 0.84 | AR (0.58) | CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2 | |
| SCHEMBL6556596 | 0.84 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19L3MBTL1EPHX2 |
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-1432693-A2 | MCH RECEPTOR ANTAGONISTS | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003028641-A2 | MCH RECEPTOR ANTAGONISTS | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2003-04-10 | — | — | WO | disclosed |