Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CALM1 | P0DP23 | 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 | |
|---|---|---|---|---|
| SCHEMBL1764812 | 0.86 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL27895303 | 0.84 | CALM1 (0.31) | CALM1 | |
| SCHEMBL12555616 | 0.79 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL7284916 | 0.77 | CYP2A6 (0.58) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL1662928 | 0.77 | CYP2A6 (0.58) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL28781437 | 0.77 | CYP2A6 (0.35) | CYP2A6TDP1 | |
| SCHEMBL1764803 | 0.69 | ALDH1A1 (0.30) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL5202353 | 0.68 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL29954356 | 0.68 | PTGS1 (0.48) | CYP2A6CYP2A13ALDH1A1TSHRTDP1 | |
| SCHEMBL1764768 | 0.68 | CYP2A6 (0.34) | CYP2A6CYP2A13 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102753538-B | Sultam derivatives | HOFFMANN LA ROCHE | 2015-04-08 | — | — | CN | disclosed |
| CN-102753538-A | Sultam derivatives | HOFFMANN LA ROCHE | 2012-10-24 | — | — | CN | disclosed |