Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8567728 | 0.92 | CYP3A4 (0.49) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL10341831 | 0.90 | CYP3A4 (0.43) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL10697590 | 0.88 | CYP3A4 (0.42) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL10341987 | 0.88 | PDIA6 (0.47) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL8565996 | 0.87 | CYP3A4 (0.36) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL9918950 | 0.83 | ALDH1A1 (0.46) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL10341851 | 0.83 | CYP3A4 (0.49) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL162798 | 0.82 | CYP3A4 (0.51) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL10341870 | 0.82 | CYP3A4 (0.47) | CYP3A4TRPA1TDP1HPGDALDH1A1 | |
| SCHEMBL10038435 | 0.78 | CYP3A4 (0.42) | CYP3A4TRPA1TDP1HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5731399-A | OXYALKYLATION TO PRODUCT HYDROXY COMPOUND; PHOSGENATION TO PRODUCT POLYISOCYANATE COMPOUND | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1998-03-24 | — | — | US | disclosed |
| EP-0611050-B1 | Polyol compositions and polyisocyanates for use in the preparation of polyurethanes | ICI PLC (GB) | 1997-06-18 | — | — | EP | disclosed |
| EP-0611050-A1 | Novel di- and polyamino compounds for use in the preparation of polyurethanes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-08-17 | — | — | EP | disclosed |