Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.55 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | TOP2A | P11388 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CDC7 | O00311 | 2/20 | 0.46 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.46 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2115657 | 0.82 | PIN1 (1.00) | PIN1POLBCYP1A2CYP3A4CYP2C19 | |
| Benzene SCHEMBL8024450 | 0.81 | MGMT (0.43) | CYP1A2CYP2C19ALDH1A1HSD17B10ENPP1 | |
| SCHEMBL218669 | 0.79 | MGMT (0.45) | CYP1A2CYP2C19ALDH1A1HIF1AHSD17B10 | |
| Bromide SCHEMBL8165615 | 0.78 | MGMT (0.44) | CYP1A2CYP2C19ALDH1A1HIF1AHSD17B10 | |
| SCHEMBL3305057 | 0.76 | PIN1 (0.76) | PIN1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28368763 | 0.75 | PNP (0.45) | PIN1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL25398225 | 0.73 | LMNA (0.53) | PIN1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8583450 | 0.72 | CDK1 (0.49) | PIN1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL24846529 | 0.72 | POLB (0.78) | PIN1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL24846512 | 0.72 | CYP1A2 (1.00) | PIN1POLBCYP1A2CYP3A4CYP2C19 |
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-1992020816-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1992-11-26 | — | — | WO | disclosed |