Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.44 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.44 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL16901836 | 0.86 | SKP2 (0.56) | SKP2CDK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28877208 | 0.82 | SKP2 (0.51) | SKP2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL12806363 | 0.81 | ALDH1A1 (0.45) | CDK1CYP1A2HPGDNPC1MAPK1 | |
| SCHEMBL19346256 | 0.81 | CDK1 (0.49) | SKP2CDK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL305915 | 0.81 | CDK1 (0.77) | CDK1HPGDNPC1MAPK1HTT | |
| SCHEMBL11806384 | 0.79 | CDK1 (0.51) | SKP2CDK1CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL27995081 | 0.79 | CA1 (0.51) | SKP2CDK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8649664 | 0.79 | CDK1 (0.46) | SKP2CDK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7758696 | 0.78 | CDK1 (0.46) | SKP2CDK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8323669 | 0.78 | PPARG (0.48) | CDK1CYP3A4CYP2D6CYP2C9CYP1A2 |
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-114409506-A | Preparation method of diol compound | 三门峡中达化工有限公司 | 2022-04-29 | — | — | CN | disclosed |