Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9240062 | 1.00 | CYP2C19 (0.48) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10442966 | 0.89 | POLB (0.50) | LMNAHSD17B10POLBALDH1A1 | |
| SCHEMBL9577344 | 0.87 | ASAH1 (0.46) | LMNAHSD17B10POLBALDH1A1CES2 | |
| SCHEMBL10443250 | 0.86 | ASAH1 (0.48) | POLBALDH1A1CES2CES1 | |
| SCHEMBL9577433 | 0.86 | ASAH1 (0.48) | POLBALDH1A1CES2CES1 | |
| SCHEMBL28718558 | 0.85 | CYP2C19 (0.46) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19228532 | 0.84 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL710418 | 0.84 | LMNA (0.56) | KCNQ2LMNAHSD17B10POLBALDH1A1 | |
| SCHEMBL643461 | 0.84 | CYP2C19 (0.53) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9577449 | 0.84 | FFAR2 (0.49) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6013662-A | ANTITUMOR, ANTICARCINOGENIC AGENTS | RHONE-POULENC RORER S.A. (FR) | 2000-01-11 | — | — | US | disclosed |