Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | MME | P08473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2183620 | 1.00 | CYP2C19 (0.54) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| SCHEMBL7317737 | 0.97 | CYP2C19 (0.50) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| SCHEMBL15919215 | 0.87 | — | — | |
| SCHEMBL2192649 | 0.76 | CYP2C19 (0.35) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| SCHEMBL3421776 | 0.74 | ALDH1A1 (0.74) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| SCHEMBL98282 | 0.74 | ALDH1A1 (0.74) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| Cyclohexane SCHEMBL9536108 | 0.74 | CYP2C19 (0.58) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| SCHEMBL3345554 | 0.74 | CYP2C19 (0.58) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| SCHEMBL2871721 | 0.74 | ALDH1A1 (0.74) | CYP2C19ALDH1A1CYP1A2USP2LMNA | |
| SCHEMBL10602483 | 0.74 | ALDH1A1 (0.74) | CYP2C19ALDH1A1CYP1A2USP2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4587045-A | Intermediates for preparing octapeptide vasopressin antagonists | SMITHKLINE BECKMAN CORPORATION (US) | 1986-05-06 | — | — | US | disclosed |
| US-4542124-A | Octapeptide vasopressin antagonists | SMITHKLINE BECKMAN CORPORATION (US) | 1985-09-17 | — | — | US | disclosed |