Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ACSS2 | Q9NR19 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18786467 | 0.84 | TRPM4 (0.38) | CYP1A2HPGDHIF1AHSD17B10MEN1 | |
| SCHEMBL10331289 | 0.83 | HSD17B10 (0.46) | CYP1A2CYP2D6CYP2C19CYP2C9HPGD | |
| SCHEMBL18786338 | 0.83 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP2C19CYP2C9HPGD | |
| SCHEMBL29549155 | 0.83 | MEN1 (0.41) | CYP1A2CYP2D6CYP2C19CYP2C9HPGD | |
| SCHEMBL19003783 | 0.81 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C19CYP2C9HPGD | |
| SCHEMBL20127198 | 0.76 | CYP3A4 (0.43) | CYP1A2CYP2D6CYP2C19CYP2C9HPGD | |
| SCHEMBL18787176 | 0.71 | ACSS2 (0.30) | CYP1A2CYP2D6CYP2C19CYP2C9HPGD | |
| SCHEMBL15450042 | 0.70 | ALDH1A1 (0.43) | CYP1A2CYP2D6CYP2C19CYP2C9HPGD | |
| SCHEMBL7705006 | 0.68 | PPARG (0.39) | CYP1A2CYP2C19CYP2C9HPGDHIF1A | |
| SCHEMBL18770229 | 0.68 | TRPM4 (0.37) | HPGDHIF1AHSD17B10GPR84TRPM4 |
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-2017069443-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2017-04-27 | — | — | WO | disclosed |