Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30296449 | 0.81 | CASP3 (0.88) | CASP3KDM4EMEN1APAF1GAA | |
| SCHEMBL45154 | 0.81 | CASP3 (0.88) | CASP3KDM4EMEN1APAF1GAA | |
| SCHEMBL3296364 | 0.76 | NPBWR1 (0.45) | KDM4E | |
| SCHEMBL13442854 | 0.76 | CASP3 (1.00) | CASP3KDM4EMEN1APAF1GAA | |
| SCHEMBL7480360 | 0.76 | NPBWR1 (0.45) | KDM4E | |
| SCHEMBL20379365 | 0.74 | CASP3 (0.66) | CASP3KDM4EMEN1APAF1GAA | |
| SCHEMBL3296219 | 0.74 | TAAR1 (0.51) | KDM4E | |
| SCHEMBL3296213 | 0.74 | ALDH1A1 (0.43) | KDM4E | |
| SCHEMBL8192261 | 0.72 | CASP3 (0.72) | CASP3KDM4EMEN1APAF1GAA | |
| SCHEMBL12597291 | 0.71 | ALDH1A1 (0.50) | KDM4E |
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 |