Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 11/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 10/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990375 | 0.86 | CYP1A2 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8990328 | 0.80 | HDAC1 (0.38) | HDAC1HDAC2HSP90AB1HSP90AA1HDAC6 | |
| SCHEMBL8990330 | 0.80 | HDAC1 (0.38) | HDAC1HDAC2HSP90AB1HSP90AA1HDAC6 | |
| SCHEMBL8816230 | 0.79 | HDAC1 (0.35) | HDAC1HDAC2HSP90AB1HSP90AA1HDAC6 | |
| SCHEMBL9540469 | 0.78 | HPRT1 (0.53) | ALDH1A1CYP3A4HIF1AHPRT1 | |
| SCHEMBL9172527 | 0.76 | MGMT (0.42) | CYP3A4HPRT1 | |
| SCHEMBL9504476 | 0.75 | PNP (0.55) | HDAC1HDAC2HSP90AB1HSP90AA1HDAC6 | |
| SCHEMBL8990463 | 0.75 | CYP2C19 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10510295 | 0.75 | HDAC1 (0.44) | HDAC1HDAC2HSP90AB1HSP90AA1HDAC6 | |
| SCHEMBL10996722 | 0.74 | HDAC1 (0.47) | HDAC1HDAC2HSP90AB1HSP90AA1HDAC6 |
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-1993006112-A1 | THERAPEUTIC NUCLEOSIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-04-01 | — | — | WO | disclosed |