Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12952428 | 0.76 | CYP2A6 (0.33) | CYP2A6CA12CA2 | |
| SCHEMBL9684290 | 0.70 | CA12 (0.33) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL9684575 | 0.70 | ALDH1A1 (0.37) | POLBCYP2D6 | |
| SCHEMBL15074596 | 0.69 | — | — | |
| SCHEMBL15076887 | 0.64 | — | — | |
| SCHEMBL31486453 | 0.63 | GPR35 (0.36) | CYP2A6CSNK2A2CSNK2BCSNK2A1POLB | |
| SCHEMBL15070173 | 0.60 | — | — | |
| SCHEMBL12927041 | 0.60 | CYP2A6 (0.33) | CYP2A6 | |
| SCHEMBL9684277 | 0.59 | CHRNA7 (0.31) | — | |
| SCHEMBL9683487 | 0.59 | CTNNB1 (0.33) | POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0475187-A1 | Naphthothiophenimines for treating neuronal disorders caused by ischemia | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-03-18 | — | — | EP | disclosed |
| US-5064831-A | N-methyl-d-aspartate receptor antagonist | BRISTOL-MYERS SQUIBB CO. (US) | 1991-11-12 | — | — | US | disclosed |