Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MC5R | P33032 | 1/20 | 0.42 |
| ▸ | ACP3 | P15309 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CMA1 | P23946 | 2/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL163296 | 0.78 | SLC1A3 (0.51) | SLC1A3SLC1A2SLC1A1ACP3CNR1 | |
| SCHEMBL15751163 | 0.74 | TSHR (0.47) | ACP3CYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL28025079 | 0.74 | SLC1A3 (0.54) | SLC1A3SLC1A2SLC1A1CNR1CNR2 | |
| SCHEMBL10449589 | 0.71 | HTR2A (0.51) | CASRMAPK1MC5RACP3CMA1 | |
| SCHEMBL8882832 | 0.71 | HTR2A (0.60) | CASRMAPK1MC5RHTR2AHTR2C | |
| SCHEMBL10819590 | 0.71 | HTR2A (0.55) | SLC1A3SLC1A2SLC1A1CNR1CNR2 | |
| SCHEMBL15066566 | 0.70 | MAPK1 (0.44) | SLC1A3SLC1A2SLC1A1MAPK1MC5R | |
| SCHEMBL808849 | 0.70 | CASR (0.47) | CASRSLC1A3SLC1A2SLC1A1MAPK1 | |
| SCHEMBL28759505 | 0.70 | CASR (0.47) | CASRSLC1A3SLC1A2SLC1A1MAPK1 | |
| SCHEMBL10441382 | 0.69 | MC5R (0.47) | CASRMAPK1MC5RACP3CMA1 |
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-0749426-A1 | QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS | Takeda Chemical Industries, Ltd. (JP) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024394-A1 | QUINOLINE OR QUINAZOLINE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS, IN PARTICULAR FOR TREATING ARTHRITIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-09-14 | — | — | WO | disclosed |