Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3817103 | 0.97 | SLC6A2 (0.41) | SLC6A4SLC6A2SLC6A3CHRM1KCNH2 | |
| SCHEMBL3809490 | 0.95 | SLC6A4 (0.48) | SLC6A4SLC6A2SLC6A3CHRM1KCNH2 | |
| SCHEMBL3811121 | 0.93 | CYP1A2 (0.38) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL3814645 | 0.92 | ALDH1A1 (0.41) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL3807840 | 0.91 | ALDH1A1 (0.42) | SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2 | |
| SCHEMBL3812701 | 0.90 | SLC6A2 (0.43) | SLC6A4SLC6A2SLC6A3KCNH2CHEK1 | |
| SCHEMBL3815986 | 0.88 | OPRM1 (0.40) | CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3807202 | 0.87 | SLC6A2 (0.41) | SLC6A4SLC6A2SLC6A3CHRM1KCNH2 | |
| SCHEMBL3812067 | 0.87 | P2RX7 (0.39) | CHEK1 | |
| SCHEMBL3811326 | 0.87 | MEN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | claimed |