Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | 0.73 | CYP2A6 (0.33) | CA12CA2CYP2A6 | |
| SCHEMBL9684263 | 0.70 | CYP2A6 (0.32) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL9684277 | 0.68 | CHRNA7 (0.31) | — | |
| SCHEMBL9684575 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL9683480 | 0.64 | CA12 (0.33) | CA12 | |
| SCHEMBL21295037 | 0.62 | TSHR (0.33) | HTR1AHTR2C | |
| SCHEMBL15076887 | 0.62 | — | — | |
| SCHEMBL15074596 | 0.62 | — | — | |
| SCHEMBL21307302 | 0.61 | NOTUM (0.42) | HTR1AHTR2C | |
| SCHEMBL23159587 | 0.60 | TSHR (0.32) | HTR1AHTR2C |
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 |