Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10922844 | 0.84 | MEN1 (0.48) | CYP1A2CYP3A4CYP2C19HDAC1HDAC6 | |
| SCHEMBL10333504 | 0.81 | HTT (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19HDAC1 | |
| SCHEMBL10810480 | 0.81 | CYP19A1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19HDAC1 | |
| SCHEMBL10333570 | 0.81 | CYP2C9 (0.39) | CYP1A2CYP3A4CYP2C19HDAC1HDAC6 | |
| SCHEMBL9864864 | 0.80 | PTPN1 (0.49) | CYP1A2CYP2C19HDAC1HDAC6 | |
| SCHEMBL9272650 | 0.79 | CYP3A4 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19HDAC1 | |
| SCHEMBL10333492 | 0.78 | SMN1; SMN2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL10333093 | 0.75 | HMOX1 (0.49) | — | |
| SCHEMBL4305804 | 0.75 | PIK3CA (0.56) | HDAC1HDAC8PIK3CA | |
| SCHEMBL14476866 | 0.74 | CYP19A1 (0.56) | HDAC1HDAC6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4957934-A | AROMATASE INHIBITORS, TREATMENT OF STEROID HORMONE DEPENDENT DISEASES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-09-18 | — | — | US | disclosed |
| US-4933357-A | 1,3-diazolyl-2-phenylalkyl-2-propanol derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-12 | — | — | US | disclosed |
| EP-0250198-B1 | BIS-AZOLYL COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-28 | — | — | EP | disclosed |
| EP-0299684-A1 | Heterocyclic Compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-01-18 | — | — | EP | disclosed |
| EP-0250198-A2 | Bis-azolyl compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-12-23 | — | — | EP | disclosed |