Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | MGMT | P16455 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9417236 | 0.82 | CDK1 (0.42) | HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9417133 | 0.81 | ACHE (0.36) | HDAC1HDAC2HDAC6HDAC4ALDH1A1 | |
| SCHEMBL9417239 | 0.80 | DAPK1 (0.49) | HDAC6CYP1A2ADORA2A | |
| SCHEMBL6272417 | 0.78 | ALDH1A1 (0.66) | HDAC1HDAC2HDAC6HDAC4HSP90AA1 | |
| SCHEMBL7702157 | 0.77 | PNP (0.64) | PNP | |
| SCHEMBL10996722 | 0.77 | HDAC1 (0.47) | HDAC1HDAC2HDAC6HDAC4HSP90AA1 | |
| Hydrochloric Acid SCHEMBL17186409 | 0.76 | PNP (0.62) | PNP | |
| SCHEMBL14477480 | 0.76 | HDAC6 (0.51) | HDAC1HDAC2HDAC6HDAC4HSP90AA1 | |
| SCHEMBL9187025 | 0.76 | HSP90AB1 (0.42) | HDAC1HDAC6HDAC4HSP90AA1HSP90AB1 | |
| SCHEMBL28016416 | 0.76 | HDAC6 (0.42) | HDAC6ALDH1A1CYP1A2CYP2C9CYP2C19 |
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-5159076-A | Purine intermediates | BEECHAM GROUP P.L.C. (GB) | 1992-10-27 | — | — | US | disclosed |