Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28188831 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL4189468 | 0.78 | ACP3 (0.55) | ACP3ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20363442 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10268819 | 0.75 | ACE (0.51) | ACP3ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6526877 | 0.74 | TRPA1 (0.53) | TRPA1CYP2D6SLC6A2TAAR1SIGMAR1 | |
| SCHEMBL21409565 | 0.74 | SLC6A4 (0.54) | ACP3ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28411073 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL14667582 | 0.73 | ACP3 (0.50) | ACP3ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28926750 | 0.73 | ACP3 (0.61) | ACP3ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9341894 | 0.73 | MME (0.49) | CYP1A2CYP2C19TRPA1CYP2D6SLC6A2 |
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-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |