Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2121883 | 0.80 | CYP2A6 (0.42) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL3632592 | 0.77 | CYP2A6 (0.46) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL21634194 | 0.76 | CYP2A6 (0.50) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL9384083 | 0.74 | KMT2A (0.62) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL27843224 | 0.73 | CYP2A6 (0.47) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL27008244 | 0.73 | CYP2A6 (0.50) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL28227590 | 0.73 | CYP2A6 (0.50) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL2614253 | 0.73 | CYP2A6 (0.50) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL27843225 | 0.70 | CYP2A6 (0.47) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL5016843 | 0.70 | AR (0.45) | FYNCYP2A6ALDH1A1CYP3A4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101939311-A | Heterocyclic compounds with affinity for muscarinic receptors | SOLVAY PHARM BV | 2011-01-05 | — | — | CN | disclosed |