Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | DUSP3 | P51452 | 7/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.42 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.42 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.42 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4054650 | 0.79 | PTGS1 (0.44) | PTPN1PTGS1PTGS2CYP1A1CYP1A2 | |
| SCHEMBL1463375 | 0.78 | PTPN1 (0.67) | PTPN1PTGS1PTGS2DUSP3CYP3A4 | |
| SCHEMBL2567880 | 0.76 | PTPN1 (1.00) | PTPN1DUSP3ALOX5ALOX5APALDH1A1 | |
| SCHEMBL2279510 | 0.76 | PTGS2 (1.00) | PTGS1PTGS2CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL13981827 | 0.76 | PTGS1 (0.69) | PTGS1PTGS2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL1686275 | 0.75 | NR1H4 (0.46) | PTPN1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL10432303 | 0.75 | PTPN1 (0.67) | PTPN1PTGS1DUSP3ALOX5ALOX5AP | |
| SCHEMBL2564471 | 0.74 | PTPN1 (0.61) | PTPN1PTGS1DUSP3ALOX5ALOX5AP | |
| SCHEMBL2473730 | 0.74 | PTGS1 (0.61) | PTGS1PTGS2CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL22518540 | 0.72 | HCAR2 (0.43) | PTPN1PTGS1PTGS2DUSP3CYP1A1 |
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-2560969-A1 | 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS | Bristol-Myers Squibb Company (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011133734-A1 | 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-27 | — | — | WO | disclosed |