Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14833093 | 0.85 | HTR2C (0.50) | MAPTDRD4HTR2BHTR2CHTR2A | |
| SCHEMBL27994997 | 0.67 | TACR1 (0.36) | GAAHTR2AALDH1A1 | |
| SCHEMBL24540730 | 0.67 | GPR174 (0.38) | MAPTPRKACAPRKACGPRKACB | |
| SCHEMBL27994996 | 0.66 | MEN1 (0.35) | KDM4EGAAMAPTHTTHTR2B | |
| SCHEMBL24540649 | 0.66 | SMN1; SMN2 (0.37) | MAPTHTTCSNK1DCSNK1EKCNH2 | |
| SCHEMBL1177526 | 0.65 | CTSB (0.36) | KDM4EMAPTHTTHTR2BSLC6A2 | |
| SCHEMBL11138422 | 0.62 | HTR2C (0.43) | HTR2BHTR2CHTR2AALDH1A1SLC6A2 | |
| SCHEMBL29748038 | 0.62 | HTR2C (0.43) | HTR2BHTR2CHTR2AALDH1A1SLC6A2 | |
| SCHEMBL29748355 | 0.62 | PRCP (0.35) | HTR2BSLC6A2ADRA1ASLC6A3CSNK1D | |
| SCHEMBL24005410 | 0.62 | PRCP (0.35) | HTR2BSLC6A2ADRA1ASLC6A3CSNK1D |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013049719-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | WO | disclosed |