Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.62 |
| ▸ | MTOR | P42345 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | PGR | P06401 | 2/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.62 |
| ▸ | HTR1A | P08908 | 2/20 | 0.62 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317006 | 0.96 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7313806 | 0.94 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL30358017 | 0.94 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7308471 | 0.94 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10368951 | 0.93 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10368948 | 0.93 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7320087 | 0.91 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10370821 | 0.90 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10366346 | 0.88 | CACNA1C (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL10366351 | 0.88 | CACNA1C (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT |
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-0177965-B1 | NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | claimed |
| US-4705786-A | Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1987-11-10 | — | — | US | claimed |
| EP-0177965-A2 | Novel oxa- and thiadiazolyl derivatives and their use | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1986-04-16 | — | — | EP | claimed |