Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11464003 | 0.84 | CYP2C9 (0.62) | HDAC8CYP3A4CYP2C9GALR3NR2F2 | |
| SCHEMBL9547383 | 0.83 | HDAC8 (0.46) | HDAC8CYP3A4CYP2C9GALR3NR2F2 | |
| SCHEMBL10510427 | 0.78 | HDAC8 (0.49) | HDAC8CYP3A4CYP2C9GALR3NR2F2 | |
| SCHEMBL10876388 | 0.76 | HDAC8 (0.52) | HDAC8CYP3A4CYP19A1KCNA5SLC6A4 | |
| SCHEMBL27787769 | 0.73 | SLC6A2 (0.52) | CYP3A4LMNAP2RX7KCNA5SLC6A4 | |
| SCHEMBL6005346 | 0.71 | HDAC8 (0.54) | HDAC8CYP3A4CYP2C9MEN1KMT2A | |
| Ethylene SCHEMBL10729027 | 0.71 | CYP19A1 (0.44) | HDAC8CYP3A4CYP3A5GALR3NR2F2 | |
| SCHEMBL24069228 | 0.70 | MEN1 (0.53) | HDAC8CYP3A4CYP2C9GALR3NR2F2 | |
| SCHEMBL13940666 | 0.69 | HDAC8 (0.51) | HDAC8GALR3NR2F2ALDH1A1LMNA | |
| Ethylene SCHEMBL10730152 | 0.69 | CYP19A1 (0.42) | HDAC8CYP3A4CYP3A5GALR3NR2F2 |
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-5196433-A | 3-SUBSTITUTED PYRIDINEMETHANOLS AND FUNGICIDES CONTAINING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-03-23 | — | — | US | disclosed |