Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 10/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 10/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8563749 | 0.92 | ALDH1A1 (0.41) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL8572223 | 0.86 | CYP3A4 (0.45) | CYP3A4HPGDTDP1ALDH1A1TRPA1 | |
| SCHEMBL8570433 | 0.82 | CYP3A4 (0.42) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL8565996 | 0.81 | CYP3A4 (0.36) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL9918952 | 0.77 | HPGD (0.39) | CYP3A4HPGDTDP1ALDH1A1KDM4E | |
| SCHEMBL1021154 | 0.76 | CYP3A4 (0.47) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL29648847 | 0.76 | CYP3A4 (0.56) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL1019299 | 0.76 | CYP3A4 (0.56) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL30075523 | 0.76 | CYP3A4 (0.47) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL10341850 | 0.76 | CYP3A4 (0.45) | CYP3A4HPGDTDP1ALDH1A1L3MBTL1 |
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 |