Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 6/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.42 |
| ▸ | PTGIR | P43119 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7561243 | 0.81 | CYP1A2 (0.57) | KIF11CYP1A2CYP2D6CYP3A4PRMT1 | |
| SCHEMBL18161379 | 0.80 | ALDH1A1 (0.46) | CYP1A2CYP2D6CYP3A4PRMT1CYP2C19 | |
| SCHEMBL8059446 | 0.79 | KIF11 (0.46) | KIF11TBXA2RPTGIRCYP2C19ALDH1A1 | |
| SCHEMBL8054796 | 0.74 | KIF11 (0.49) | KIF11CYP1A2CYP2D6CYP3A4PRMT1 | |
| SCHEMBL19021006 | 0.73 | KIF11 (0.71) | KIF11 | |
| SCHEMBL17761692 | 0.71 | CES1 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL9358744 | 0.70 | MAOA (0.52) | CYP3A4ALDH1A1 | |
| SCHEMBL3962014 | 0.70 | TAAR1 (0.52) | KIF11CYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL10599554 | 0.70 | ALDH1A1 (0.42) | KIF11CYP1A2CYP2C19ALDH1A1HPGD | |
| SCHEMBL1537242 | 0.69 | KIF11 (0.57) | KIF11TBXA2RPTGIRCYP1A2CYP2C19 |
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-1227883-A1 | CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION | DSM N.V. (NL) | 2002-08-07 | — | — | EP | disclosed |
| WO-2001023088-A1 | CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION | DSM N.V. (NL) | 2001-04-05 | — | — | WO | disclosed |