Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYBB | P04839 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13617358 | 0.87 | TSHR (0.38) | ALDH1A1HTR1A | |
| SCHEMBL1383973 | 0.85 | BRD4 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1RECQL | |
| SCHEMBL2832891 | 0.85 | DRD2 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL1382684 | 0.85 | ALDH1A1 (0.48) | CYP1A2CYP2C19ALDH1A1ADRB2HTR1A | |
| SCHEMBL1382894 | 0.85 | LMNA (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL1380879 | 0.85 | MEN1 (0.43) | CYP1A2CYP2C19ALDH1A1WDR5LMNA | |
| SCHEMBL1381520 | 0.85 | ALDH1A1 (0.43) | CYP1A2CYP2C19ALDH1A1ADRB2LMNA | |
| SCHEMBL1381959 | 0.83 | HTR1A (0.46) | HTR1A | |
| SCHEMBL2830994 | 0.83 | HTR1A (0.35) | ALDH1A1ADRB2HTR1ADRD2 | |
| SCHEMBL2830140 | 0.83 | L3MBTL1 (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1ADRB2 |
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-1888538-B1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR | HOFFMANN LA ROCHE (CH) | 2009-11-18 | — | — | EP | disclosed |