Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3296219 | 0.88 | TAAR1 (0.51) | NPBWR1MAOBALDH1A1MAPTALOX15 | |
| SCHEMBL3296364 | 0.85 | NPBWR1 (0.45) | NPBWR1ALDH1A1MAPTALOX15KDM4E | |
| SCHEMBL3296213 | 0.82 | ALDH1A1 (0.43) | NPBWR1ALDH1A1MAPTALOX15KDM4E | |
| SCHEMBL30992791 | 0.80 | NPBWR1 (0.51) | NPBWR1ALDH1A1MAPTALOX15KDM4E | |
| SCHEMBL12597291 | 0.80 | ALDH1A1 (0.50) | NPBWR1ALDH1A1MAPTALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL25408473 | 0.78 | MAPT (0.43) | MAOBMAPTKDM4ETAAR1LMNA | |
| SCHEMBL16014712 | 0.78 | NPBWR1 (0.47) | NPBWR1ALDH1A1MAPTALOX15KDM4E | |
| Hydrochloric Acid SCHEMBL25212839 | 0.78 | SMN1; SMN2 (0.51) | ALDH1A1ALOX15KDM4ELMNASMN1; SMN2 | |
| SCHEMBL6635396 | 0.77 | HTT (0.52) | NPBWR1ALDH1A1MAPTALOX15KDM4E | |
| SCHEMBL7476683 | 0.76 | CASP3 (0.61) | 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 |