Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21836003 | 0.79 | CHRNB2 (0.40) | TSHRCHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20449099 | 0.76 | PARP1 (0.53) | CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL3155289 | 0.76 | PARP1 (0.53) | CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL24365247 | 0.75 | PARP1 (0.46) | CYP2C19TSHRHPGDCHRM2CHRM3 | |
| SCHEMBL26993918 | 0.73 | NPC1 (0.39) | CYP2C9ALDH1A1TSHRSLC18A3 | |
| SCHEMBL3119794 | 0.72 | ALDH1A1 (0.46) | CYP2C19ALDH1A1KCNA5TSHR | |
| SCHEMBL28064896 | 0.71 | RIPK1 (0.48) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL3657493 | 0.70 | CYP2C19 (0.46) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL360290 | 0.69 | GAA (0.41) | ALDH1A1TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL20449106 | 0.69 | PARP1 (0.48) | CYP2C19CYP3A4CYP2C9 |
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-0305180-B1 | Enantioselective reduction of ketones | HARVARD COLLEGE (US) | 1995-03-22 | — | — | EP | disclosed |
| US-4943635-A | OXAZABOROLIDINES AND OXAZABORINES AS CATALYSTS | PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) | 1990-07-24 | — | — | US | disclosed |
| EP-0305180-A2 | Enantioselective reduction of ketones | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1989-03-01 | — | — | EP | disclosed |