Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8045183 | 0.86 | OPRM1 (0.43) | KCNA3CYP3A4CYP2C9KCNH2OPRM1 | |
| SCHEMBL8044965 | 0.86 | OPRM1 (0.43) | KCNA3CYP3A4CYP2C9KCNH2OPRM1 | |
| SCHEMBL8045058 | 0.85 | CYP3A4 (0.52) | KCNA3CYP3A4CYP2C9KCNH2HDAC6 | |
| SCHEMBL8049747 | 0.83 | CYP3A4 (0.43) | KCNA3CYP3A4CYP2C9KCNH2OPRM1 | |
| SCHEMBL8044655 | 0.83 | CYP3A4 (0.43) | KCNA3CYP3A4CYP2C9KCNH2OPRM1 | |
| SCHEMBL8045765 | 0.81 | CCR1 (0.40) | KCNA3CYP3A4CYP2C9KCNH2OPRM1 | |
| SCHEMBL8035678 | 0.79 | CYP3A4 (0.40) | CYP3A4CYP2C9KCNH2CYP2D6HDAC6 | |
| SCHEMBL8052908 | 0.78 | KMT2A (0.40) | KCNA3CYP3A4CYP2C9KCNH2OPRM1 | |
| SCHEMBL8035137 | 0.78 | HDAC1 (0.51) | CYP3A4KCNH2HDAC6HDAC3HDAC4 | |
| SCHEMBL8035139 | 0.78 | HDAC1 (0.51) | CYP3A4KCNH2HDAC6HDAC3HDAC4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749957-B1 | Aromatic hydroxamic acid compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-04-26 | — | — | EP | disclosed |
| US-5891916-A | ANTINEUROGEGERATIVE AGENT | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0749957-A1 | Aromatic hydroxamic acid compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1996-12-27 | — | — | EP | disclosed |