Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.30 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL20779720 | 0.81 | LRRK2 (0.39) | CYP2C19CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL20779628 | 0.76 | KAT6A (0.34) | CYP2C19CYP3A4CYP2C9CYP2E1CYP2A6 | |
| SCHEMBL20779671 | 0.75 | TEAD1 (0.50) | CYP2C19CYP3A4CYP2C9CYP2E1CYP2A6 | |
| SCHEMBL11962891 | 0.70 | CYP3A4 (0.46) | CYP2C19CYP3A4CYP2C9CYP2E1CYP2A6 | |
| SCHEMBL11951599 | 0.66 | CYP3A4 (0.42) | CYP2C19CYP3A4CYP2C9CYP2E1CYP2A6 | |
| SCHEMBL20779813 | 0.66 | LRRK2 (0.41) | CYP2C19CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL2910946 | 0.63 | CYP2E1 (0.67) | CYP2C19CYP3A4CYP2C9CYP2E1CYP2A6 | |
| SCHEMBL8036070 | 0.61 | CYP3A4 (0.43) | CYP3A4ALDH1A1GAAALOX15RAB9A | |
| SCHEMBL18663454 | 0.61 | TSHR (0.43) | CYP2C19CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL10994298 | 0.61 | CYP3A4 (0.54) | CYP2C19CYP3A4CYP2C9CYP2E1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019040380-A1 | BENZOSULFONYL COMPOUNDS | VIVACE THERAPEUTICS, INC. (US) | 2019-02-28 | — | — | WO | disclosed |