Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.64 |
| ▸ | NPC1 | O15118 | 3/20 | 0.64 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | WDR5 | P61964 | 2/20 | 0.39 |
| ▸ | ENGASE | Q8NFI3 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.39 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.39 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.39 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.39 |
| ▸ | ATP4A | P20648 | 2/20 | 0.39 |
| ▸ | ATP1A2 | P50993 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10335253 | 0.92 | CYP1A2 (0.64) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9026559 | 0.92 | CYP2C9 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL3911587 | 0.91 | CYP1A2 (0.63) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8503277 | 0.89 | CYP2C9 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8554015 | 0.89 | CYP2C9 (0.61) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8503506 | 0.89 | CYP2C9 (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8130091 | 0.88 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9026569 | 0.88 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL10965135 | 0.88 | CYP2D6 (0.65) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9528665 | 0.87 | RAB9A (0.69) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4950677-A | ANTIULCER AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1990-08-21 | — | — | US | disclosed |