Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.38 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7718813 | 0.89 | CYP2D6 (0.44) | ALDH1A1TDP1CA2CA1CPB2 | |
| SCHEMBL5027814 | 0.81 | CYP2D6 (0.46) | ALDH1A1TDP1CPB2CYP2D6CYP2C9 | |
| SCHEMBL332831 | 0.79 | CA2 (0.70) | TDP1CA2CA1CPB2MAPK1 | |
| SCHEMBL17617127 | 0.79 | CA2 (0.70) | TDP1CA2CA1CPB2MAPK1 | |
| SCHEMBL17617151 | 0.79 | CA2 (0.70) | TDP1CA2CA1CPB2MAPK1 | |
| Phosphoric Acid SCHEMBL27426833 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TDP1CA2CA1CPB2 | |
| SCHEMBL5432178 | 0.78 | S1PR2 (0.54) | CPB2LPAR3LPAR2 | |
| SCHEMBL21052387 | 0.78 | CA2 (0.50) | ALDH1A1CA2CA1CPB2MAPK1 | |
| SCHEMBL28901926 | 0.78 | LPAR3 (0.42) | ALDH1A1TDP1CA2CA1LPAR3 | |
| SCHEMBL12860221 | 0.77 | CA2 (0.62) | CA2CA1CPB2MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115536719-B | Synthesis method of high-purity plant source 7-ketolithocholic acid | 江苏佳尔科药业集团股份有限公司 | 2024-02-09 | — | — | CN | disclosed |
| 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 |