Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1275503 | 0.91 | CYP3A4 (0.43) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL10685560 | 0.91 | CYP3A4 (0.53) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL5872925 | 0.86 | CYP3A4 (0.50) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL1274852 | 0.85 | CYP3A4 (0.45) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL3500694 | 0.85 | CYP3A4 (0.47) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL1274612 | 0.83 | HSPA5 (0.38) | HSPA5 | |
| SCHEMBL9816249 | 0.81 | CYP3A4 (0.50) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL1275158 | 0.81 | HSPA5 (0.43) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL284444 | 0.80 | CYP3A4 (0.56) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL283905 | 0.78 | CYP3A4 (0.51) | CYP3A4TSHRATMTDP1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4759862-A | O,p-bifunctionalized o'-substituted phenols | CIBA-GEIGY CORPORATION (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0165209-A2 | o,p-Bifunctionalised, o'-substituted phenols | CIBA-GEIGY AG (CH) | 1985-12-18 | — | — | EP | disclosed |