Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | PCNA | P12004 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL5756752 | 1.00 | CYP3A4 (0.46) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL5754973 | 0.96 | CYP3A4 (0.49) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL5752656 | 0.96 | CYP3A4 (0.49) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL31008760 | 0.84 | SMN1; SMN2 (0.57) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL29603779 | 0.84 | CYP3A4 (0.55) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL8749524 | 0.84 | CYP3A4 (0.55) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL27732754 | 0.82 | MMEL1 (0.50) | CYP3A4CTSKMAPK1MME | |
| SCHEMBL909961 | 0.79 | ITGB3 (0.52) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL5752780 | 0.79 | ITGB3 (0.52) | CYP3A4LMNACYP1A2CYP2C9TSHR | |
| SCHEMBL7495527 | 0.79 | TSHR (0.49) | CYP3A4LMNACYP1A2CYP2C9TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1227095-B1 | A process for the purification of (S)-4-((3-(dimethylamino)ethyl)-1H-indol-5yl)-methyl)-2-oxazolidinone | ASTRAZENECA AB (SE) | 2006-05-03 | — | — | EP | disclosed |