Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CDC42 | P60953 | 1/20 | 0.42 |
| ▸ | RAC1 | P63000 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4633299 | 0.83 | HTR2A (0.47) | GABRA1GABRB2LMNAMAPT | |
| SCHEMBL11015452 | 0.78 | PTGS1 (0.53) | ABCB11PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL15086617 | 0.77 | CYP1A2 (0.60) | ABCB11PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL9546449 | 0.77 | PTGS1 (0.56) | ABCB11PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL9546445 | 0.77 | PTGS1 (0.56) | ABCB11PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL30776613 | 0.77 | PTGS1 (0.56) | ABCB11PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL22214036 | 0.73 | CYP1A2 (0.52) | ABCB11PTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL3458865 | 0.73 | HTR2A (0.47) | ABCB11 | |
| SCHEMBL3458869 | 0.73 | HTR2A (0.47) | ABCB11 | |
| SCHEMBL2975910 | 0.73 | CYP1A2 (0.52) | ABCB11PTGS2AKR1C3AKR1C2PTGS1 |
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-1924565-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007025900-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-08 | — | — | WO | disclosed |