Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | RET | P07949 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715414 | 0.94 | NPC1 (0.41) | NPC1RAB9ATHRBTP53RXFP1 | |
| SCHEMBL14715298 | 0.88 | WHR1 (0.44) | — | |
| SCHEMBL14715442 | 0.88 | WHR1 (0.44) | — | |
| SCHEMBL2171045 | 0.87 | TP53 (0.44) | NPC1RAB9ATHRBTP53RXFP1 | |
| SCHEMBL14715474 | 0.86 | MCHR1 (0.36) | ACHERETKDM4EHTR2ADRD3 | |
| SCHEMBL14715274 | 0.86 | TACR3 (0.45) | RETHTR2ASLC2A1 | |
| SCHEMBL14715376 | 0.85 | WHR1 (0.46) | — | |
| SCHEMBL14715403 | 0.83 | WHR1 (0.41) | RET | |
| SCHEMBL14715358 | 0.82 | MCHR1 (0.42) | HTR2ADRD3 | |
| SCHEMBL14715369 | 0.82 | PDE5A (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346848-B1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | claimed |