Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27633187 | 0.94 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19FFAR1 | |
| SCHEMBL1368369 | 0.88 | L3MBTL1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19FFAR1 | |
| SCHEMBL15013716 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL18791175 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19FFAR1 | |
| SCHEMBL3013104 | 0.82 | ALDH1A1 (0.80) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| Fluoresone SCHEMBL24999 | 0.81 | PSIP1 (0.58) | ALDH1A1KMT2APAX8L3MBTL1MMP8 | |
| SCHEMBL18236771 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19FFAR1 | |
| SCHEMBL7283306 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL18225990 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL1271022 | 0.80 | CA2 (0.67) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103974933-B | The fluoride of sulfur-bearing and sulfonated aromatic alkane monomer | 米其林企业总公司 | 2016-06-22 | — | — | CN | disclosed |
| EP-2346819-B1 | NAPHTHYLACETIC ACIDS | HOFFMANN LA ROCHE (CH) | 2013-04-10 | — | — | EP | disclosed |
| EP-2074098-A2 | QUINOLINE COMPOUNDS | Wyeth (US) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008049047-A2 | QUINOLINE COMPOUNDS | WYETH (US) | 2008-04-24 | — | — | WO | disclosed |