Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9162459 | 1.00 | CYP2D6 (0.61) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL17676876 | 0.80 | CYP2D6 (0.56) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL239738 | 0.77 | CYP2D6 (0.96) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL100361 | 0.77 | CYP2D6 (0.96) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL100360 | 0.77 | CYP2D6 (0.96) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL18609239 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL10327130 | 0.77 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL10326880 | 0.77 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL10326636 | 0.77 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 | |
| SCHEMBL8136171 | 0.76 | CYP2D6 (0.93) | CYP2D6CYP1A2CYP2C19KDM4ENPC1 |
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 |