Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.34 |
| ▸ | LPL | P06858 | 3/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8637758 | 1.00 | PTGS2 (0.36) | PTGS2CYP3A4THRATHRBSPHK2 | |
| SCHEMBL8642283 | 0.99 | PTGS2 (0.35) | PTGS2CYP3A4THRATHRBSPHK2 | |
| SCHEMBL8638646 | 0.96 | PTGS2 (0.38) | PTGS2CYP3A4THRATHRBSPHK2 | |
| SCHEMBL8641996 | 0.95 | ALDH1A1 (0.33) | PTGS2ALDH1A1 | |
| SCHEMBL8642971 | 0.95 | ALDH1A1 (0.33) | PTGS2ALDH1A1 | |
| SCHEMBL8639954 | 0.93 | PTGS2 (0.35) | PTGS2CYP3A4THRATHRBSPHK2 | |
| SCHEMBL8645125 | 0.93 | CYP1A2 (0.31) | ALDH1A1 | |
| SCHEMBL8640268 | 0.89 | PTGS2 (0.36) | PTGS2CYP3A4THRATHRBLPL | |
| SCHEMBL8642880 | 0.89 | — | — | |
| SCHEMBL9571142 | 0.84 | PTGS2 (0.36) | PTGS2CYP3A4THRATHRBSPHK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0440082-B1 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GMBH (DE) | 1998-04-15 | — | — | EP | disclosed |
| US-5262556-A | Alkylation or hydroxyalkylation by deprotonation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-11-16 | — | — | US | disclosed |
| EP-0440082-A2 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GmbH (DE) | 1991-08-07 | — | — | EP | disclosed |