Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ACP1 | P24666 | 1/20 | 0.44 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KDM6B | O15054 | 1/20 | 0.44 |
| ▸ | KDM6A | O15550 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | KDM4B | O94953 | 1/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4774987 | 0.92 | ADORA2A (0.46) | HDAC1HIF1ACYP2A6CYP3A4CFTR | |
| SCHEMBL2238217 | 0.86 | HDAC1 (0.42) | HDAC1HDAC6HIF1ACYP2A6CYP3A4 | |
| SCHEMBL2238203 | 0.86 | HDAC1 (0.42) | HDAC1HDAC6HIF1ACYP2A6CYP3A4 | |
| SCHEMBL4774925 | 0.86 | HDAC1 (0.40) | HDAC1HDAC6HIF1ACYP2A6CYP3A4 | |
| SCHEMBL2240387 | 0.86 | HDAC1 (0.42) | HDAC1HDAC6HIF1ACYP2A6CYP3A4 | |
| SCHEMBL4777383 | 0.84 | METAP1 (0.47) | HDAC1HDAC6HIF1ACYP3A4CYP2C9 | |
| SCHEMBL28894858 | 0.81 | HDAC1 (0.48) | HDAC1HDAC6ACHECYP3A4CYP2C9 | |
| SCHEMBL30085849 | 0.81 | HDAC1 (0.48) | HDAC1HDAC6ACHECYP3A4CYP2C9 | |
| SCHEMBL2240174 | 0.81 | CYP3A4 (0.42) | HDAC1HIF1ACYP2A6CYP3A4CYP2C9 | |
| SCHEMBL11968349 | 0.81 | CYP3A4 (0.47) | HDAC1HIF1ACYP2A6CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |