Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.49 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6969210 | 0.85 | ABCB1 (0.65) | ALDH1A1POLBABCB1ABCC1ABCG2 | |
| SCHEMBL7485177 | 0.84 | ALDH1A1 (0.48) | ALDH1A1POLBABCB1ABCC1ABCG2 | |
| SCHEMBL3156807 | 0.78 | ABCB1 (0.62) | ALDH1A1ABCB1ABCC1ABCG2DHFR | |
| SCHEMBL18797822 | 0.75 | SIGMAR1 (0.53) | ABCB1ABCC1ABCG2DHFRDRD2 | |
| SCHEMBL3157251 | 0.73 | ABCB1 (0.62) | ALDH1A1ABCB1ABCC1ABCG2DHFR | |
| SCHEMBL6971135 | 0.73 | SIGMAR1 (0.66) | ALDH1A1ABCB1ABCC1ABCG2DRD2 | |
| SCHEMBL3296219 | 0.72 | TAAR1 (0.51) | ALDH1A1KDM4E | |
| SCHEMBL6962333 | 0.72 | TMEM97 (0.55) | ALDH1A1ABCB1ABCC1ABCG2CHRM2 | |
| SCHEMBL7480360 | 0.71 | NPBWR1 (0.45) | ALDH1A1SIGMAR1KDM4E | |
| SCHEMBL3061384 | 0.71 | CA9 (0.70) | ALDH1A1ABCB1ABCC1ABCG2CHRM2 |
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-0902785-B1 | PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID 2-(2H- 1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE | PFIZER (US) | 2002-09-04 | — | — | EP | disclosed |
| US-5998623-A | Process and intermediates for preparing 4'-trifluoromethylbiphenyl-2-carboxylic acid [2-(2H-[1,2,4]triazol-3-ylmethyl)-1,2,3,4-tetrahydro-isoquinolin-6-yl]-a mide | PFIZER INC. (US) | 1999-12-07 | — | — | US | disclosed |