Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | GMNN | O75496 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.42 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10904238 | 1.00 | CYP2D6 (0.50) | CYP2D6CYP3A4TSHRNFKB1THPO | |
| SCHEMBL4271792 | 0.81 | — | — | |
| SCHEMBL2203031 | 0.78 | — | — | |
| SCHEMBL9767473 | 0.72 | TSHR (0.61) | CYP2D6CYP3A4TSHRNFKB1THPO | |
| SCHEMBL9767481 | 0.72 | TSHR (0.61) | CYP2D6CYP3A4TSHRNFKB1THPO | |
| SCHEMBL288273 | 0.72 | CACNA2D1 (0.56) | CYP2D6CYP3A4TSHRNFKB1THPO | |
| SCHEMBL3821789 | 0.72 | — | — | |
| SCHEMBL2377939 | 0.72 | CACNA2D1 (0.56) | CYP2D6CYP3A4TSHRNFKB1THPO | |
| SCHEMBL2763515 | 0.72 | CACNA2D1 (0.56) | CYP2D6CYP3A4TSHRNFKB1THPO | |
| SCHEMBL19628287 | 0.71 | CYP2D6 (0.46) | CYP2D6GMNNMAPTHIF1ABHMT |
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-4596819-A | Antidepressive agents | WARNER-LAMBERT COMPANY (US) | 1986-06-24 | — | — | US | disclosed |