Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | FAAH | O00519 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.56 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.56 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.56 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL997562 | 0.94 | ALDH1A1 (0.60) | ALDH1A1SOAT1MEN1FAAHTP53 | |
| SCHEMBL7255058 | 0.88 | SOAT1 (0.57) | ALDH1A1SOAT1MEN1FAAHTP53 | |
| SCHEMBL1877336 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 | |
| Adipic Acid SCHEMBL6869491 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 | |
| SCHEMBL1885207 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 | |
| SCHEMBL1879946 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 | |
| SCHEMBL1884098 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 | |
| SCHEMBL1877224 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 | |
| SCHEMBL1878614 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 | |
| SCHEMBL1874175 | 0.86 | ALDH1A1 (0.85) | ALDH1A1MEN1KMT2AS1PR2S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0135521-A1 | CLAVAM DERIVATIVES | BEECHAM GROUP PLC (GB) | 1985-04-03 | — | — | EP | disclosed |
| WO-1984003092-A1 | CLAVAM DERIVATIVES | BEECHAM GROUP PLC (GB) | 1984-08-16 | — | — | WO | disclosed |