Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9172770 | 0.93 | PLA2G2A (0.50) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL9172779 | 0.93 | PLA2G2A (0.50) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL9417612 | 0.91 | PLA2G2A (0.48) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL9166846 | 0.89 | PLA2G2A (0.58) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL9166840 | 0.89 | PLA2G2A (0.58) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL28531850 | 0.87 | PLA2G2A (0.75) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL9168861 | 0.87 | PLA2G2A (0.75) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL9168532 | 0.87 | PLA2G2A (0.74) | PLA2G2ABLMTHRATHRBTSHR | |
| SCHEMBL9171449 | 0.86 | PLA2G2A (0.60) | PLA2G2ABLMSMPD1MTNR1AMTNR1B | |
| SCHEMBL9172738 | 0.83 | PLA2G2A (0.53) | PLA2G2ABLMSMPD1MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| US-5446189-A | Diester intermediates for diacid enzyme inhibitor | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| US-5324747-A | Treatment of inflammatory diseases | HOFFMANN-LA ROCHE INC. (US) | 1994-06-28 | — | — | US | disclosed |
| EP-0579066-A2 | N-substituted anilines | F. HOFFMANN-LA ROCHE AG (CH) | 1994-01-19 | — | — | EP | disclosed |