Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 4/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.47 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14715262 | 0.92 | ADRA1A (0.56) | ADRA1AADRA1BKDM4EMEN1NPC1 | |
| SCHEMBL14715306 | 0.90 | ADRA1A (0.51) | ADRA1AADRA1B | |
| SCHEMBL3319263 | 0.89 | ADRA1A (0.52) | ADRA1AADRA1BKDM4EMEN1NPC1 | |
| SCHEMBL14715408 | 0.88 | ADRA1A (0.50) | ADRA1AADRA1BKDM4EMEN1NPC1 | |
| SCHEMBL14715512 | 0.87 | ADRA1A (0.51) | ADRA1AADRA1B | |
| SCHEMBL14715477 | 0.86 | ADRA1A (0.49) | ADRA1AADRA1B | |
| SCHEMBL14715409 | 0.85 | ADRA1A (0.57) | ADRA1AADRA1BKDM4EMEN1NPC1 | |
| SCHEMBL14715297 | 0.84 | ADRA1A (0.54) | ADRA1AADRA1BKDM4EMEN1NPC1 | |
| SCHEMBL2187625 | 0.84 | ADRA1A (0.47) | ADRA1AADRA1BKDM4EMEN1NPC1 | |
| SCHEMBL2172942 | 0.84 | ADRA1A (0.47) | ADRA1AADRA1BKDM4EMEN1NPC1 |
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 |