Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL978915 | 0.86 | — | — | |
| SCHEMBL28362525 | 0.86 | HSP90AA1 (0.40) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6685244 | 0.83 | HDAC3 (0.37) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| Ethane SCHEMBL29272596 | 0.83 | HRH1 (0.35) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL14835009 | 0.78 | HSP90AA1 (0.34) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL12441745 | 0.78 | HSP90AA1 (0.34) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6685246 | 0.78 | POLB (0.40) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL6287667 | 0.78 | CYP2A6 (0.47) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL7718580 | 0.78 | HSP90AA1 (0.34) | HSP90AA1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL4412197 | 0.78 | CYP2D6 (0.43) | CYP3A4CYP2C9CYP2C19HRH1CYP2D6 |
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-2002087587-A2 | 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS | CELLTECH R & D LIMITED (GB) | 2002-11-07 | — | — | WO | disclosed |