Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.56 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 11/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 11/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 11/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 9/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL7718897 | 0.94 | LPAR3 (0.52) | LPAR3LPAR2TSHRTYMSS1PR2 | |
| SCHEMBL15537598 | 0.91 | TYMS (0.52) | LPAR3LPAR2TSHRTYMSALDH1A1 | |
| SCHEMBL23130627 | 0.89 | LPAR3 (0.50) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| Butane SCHEMBL7714667 | 0.85 | LPAR3 (0.44) | LPAR3LPAR2TSHRTYMSS1PR2 | |
| SCHEMBL11355334 | 0.84 | — | — | |
| SCHEMBL11366764 | 0.82 | TYMS (0.52) | LPAR3LPAR2TSHRTYMSALDH1A1 | |
| Water SCHEMBL7650471 | 0.77 | LPAR3 (0.90) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| Phosphonic Acid SCHEMBL9473066 | 0.77 | TYMS (0.46) | LPAR3LPAR2TYMSALDH1A1TDP1 | |
| Water SCHEMBL7644688 | 0.75 | LPAR3 (0.95) | LPAR3LPAR2TYMSS1PR2S1PR1 | |
| Water SCHEMBL26965727 | 0.75 | LPAR3 (0.95) | LPAR3LPAR2TYMSS1PR2S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6376512-B1 | FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-04-23 | — | — | US | disclosed |
| EP-0315399-B1 | Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same | RHONE POULENC RORER INT (US) | 1996-01-10 | — | — | EP | disclosed |
| US-5059610-A | QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-10-22 | — | — | US | disclosed |
| US-4920132-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |