Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CASR | P41180 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11400626 | 0.82 | APAF1 (0.49) | CYP1A2CYP3A4CYP2D6LMNACASR | |
| SCHEMBL28945403 | 0.80 | ALDH1A1 (0.44) | LMNAKMT2AMEN1ALDH1A1 | |
| SCHEMBL8268348 | 0.76 | LMNA (0.61) | CYP1A2CYP3A4CYP2D6LMNACASR | |
| SCHEMBL31248153 | 0.76 | LMNA (0.61) | CYP1A2CYP3A4CYP2D6LMNACASR | |
| SCHEMBL28816657 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP2D6LMNACHRM2CHRM1 | |
| SCHEMBL24406703 | 0.75 | CYP3A4 (0.76) | CYP1A2CYP3A4CYP2D6LMNACASR | |
| SCHEMBL3881699 | 0.75 | CYP3A4 (0.76) | CYP1A2CYP3A4CYP2D6LMNACASR | |
| SCHEMBL5471668 | 0.75 | CYP3A4 (0.76) | CYP1A2CYP3A4CYP2D6LMNACASR | |
| SCHEMBL3881700 | 0.75 | CYP3A4 (0.76) | CYP1A2CYP3A4CYP2D6LMNACASR | |
| SCHEMBL2432448 | 0.75 | KCNH2 (0.50) | CYP1A2CYP2D6LMNAHTR1AADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-111943945-B | Suvorexant intermediate and preparation method thereof | 上海应用技术大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-111943945-A | Suvorexant intermediate and preparation method thereof | 上海应用技术大学 | 2020-11-17 | — | — | CN | disclosed |
| EP-0655055-A1 | TACHYKININ ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1995-05-31 | — | — | EP | disclosed |