Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 5/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.35 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3977769 | 0.81 | MT-CO2 (0.38) | CACNA1BMT-CO2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28766164 | 0.77 | C5AR1 (0.46) | C5AR1ADORA1 | |
| SCHEMBL28766165 | 0.77 | C5AR1 (0.46) | C5AR1ADORA1 | |
| SCHEMBL3973794 | 0.76 | MT-CO2 (0.38) | MT-CO2CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL3969771 | 0.73 | MT-CO2 (0.38) | CACNA1BMT-CO2NFKB1GAAMEN1 | |
| SCHEMBL22035315 | 0.73 | ADORA1 (0.43) | MT-CO2CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21994341 | 0.72 | MAOB (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL21994342 | 0.72 | MAOB (0.41) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL22035319 | 0.71 | GAA (0.40) | CYP3A4CYP1A2CYP2D6CYP2C9NFKB1 | |
| SCHEMBL11750417 | 0.70 | NPC1 (0.40) | MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054418-A1 | DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS | Array Biopharma, Inc. (US) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008006039-A1 | DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2008-01-10 | — | — | WO | disclosed |