Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | CASP1 | P29466 | 4/20 | 0.41 |
| ▸ | CASP7 | P55210 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6862126 | 0.94 | HRH4 (0.49) | HTR3AHRH4TNKSATAD2TACR1 | |
| Methylpiperazine SCHEMBL6862208 | 0.85 | HTR7 (0.47) | HTR3AHRH4TACR1CYP1A2HSD17B10 | |
| Methylpiperazine SCHEMBL6016296 | 0.85 | TACR1 (0.43) | HTR3AHRH4TNKSTACR1CYP1A2 | |
| Methylpiperazine SCHEMBL6872333 | 0.83 | MET (0.45) | HTR3AHRH4TNKSATAD2TACR1 | |
| SCHEMBL6869424 | 0.80 | TACR1 (0.59) | HTR3AHRH4ATAD2TACR1CYP1A2 | |
| SCHEMBL4125912 | 0.79 | ALDH1A1 (0.52) | HTR3AHRH4ATAD2TACR1CYP1A2 | |
| SCHEMBL6868793 | 0.79 | HRH4 (0.51) | HTR3AHRH4ATAD2TACR1CYP1A2 | |
| Methylpiperazine SCHEMBL6866949 | 0.78 | TACR1 (0.45) | TACR1CYP1A2HSD17B10HIF1ACASP1 | |
| SCHEMBL6872263 | 0.78 | CYP1A2 (0.52) | HTR3AHRH4ATAD2TACR1CYP1A2 | |
| SCHEMBL4125241 | 0.78 | ALDH1A1 (0.45) | HTR3ACYP1A2HSD17B10HIF1ACASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |