Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7718908 | 0.87 | CYP2D6 (0.40) | CYP2D6CYP2C9CYP2C19FDPSPOLB | |
| SCHEMBL5679114 | 0.76 | CA2 (0.52) | POLBHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL13575662 | 0.76 | CA2 (0.52) | POLBHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL17617131 | 0.76 | CA2 (0.52) | POLBHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL4726173 | 0.75 | HDAC1 (0.52) | POLBHDAC1HDAC2CHRM1AKR1A1 | |
| Hydrochloric Acid SCHEMBL28448100 | 0.74 | CA2 (0.50) | POLBHDAC1HDAC2CHRM1AKR1A1 | |
| Phosphoric Acid SCHEMBL27426833 | 0.72 | ALDH1A1 (0.42) | CYP2D6CYP2C9CYP2C19POLBTDP1 | |
| SCHEMBL10454672 | 0.72 | HDAC1 (0.40) | POLBHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL7718813 | 0.72 | CYP2D6 (0.44) | CYP2D6CYP2C9CYP2C19POLBTDP1 | |
| SCHEMBL2383284 | 0.71 | FDPS (0.56) | FDPSMETAP1 |
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 |