Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9160008 | 1.00 | RAB9A (0.61) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| SCHEMBL10326821 | 0.95 | CYP2D6 (0.68) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| SCHEMBL9230937 | 0.95 | CYP2D6 (0.68) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| SCHEMBL10326921 | 0.95 | CYP2D6 (0.68) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| Pipradrol SCHEMBL156360 | 0.83 | CYP2D6 (0.87) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| Pipradrol SCHEMBL4057811 | 0.81 | CYP2D6 (0.90) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| SCHEMBL9230454 | 0.81 | CYP2D6 (0.68) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| SCHEMBL10326845 | 0.81 | CYP2D6 (0.68) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| SCHEMBL22260353 | 0.80 | RAB9A (0.53) | RAB9ANPC1CYP1A2HPGDCYP2C19 | |
| SCHEMBL20832974 | 0.80 | RAB9A (0.53) | RAB9ANPC1CYP1A2HPGDCYP2C19 |
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 |