Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 6/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL359537 | 0.81 | GAA (0.52) | CYP2C9CYP2C19CA1CA2GAA | |
| SCHEMBL357433 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL167573 | 0.78 | MEN1 (0.73) | CYP2C9CYP2C19MEN1KMT2AGAA | |
| SCHEMBL14906969 | 0.76 | ALDH1A1 (0.56) | CYP2C9CYP2C19MEN1KMT2AGAA | |
| SCHEMBL19716939 | 0.75 | EPHX2 (0.48) | ALDH1A1MAPTHPGDKDM4ELMNA | |
| SCHEMBL7245624 | 0.75 | CYP2C19 (0.45) | CYP2C9CYP2C19MEN1KMT2AGAA | |
| SCHEMBL19244809 | 0.75 | TAAR1 (0.55) | ALDH1A1HPGDTSHRMAPK1 | |
| SCHEMBL20497326 | 0.74 | CYP1A2 (0.56) | CYP2C9CYP2C19MEN1KMT2ACA1 | |
| SCHEMBL14718500 | 0.74 | HTT (0.43) | CYP2C9CYP2C19KMT2AALDH1A1HPGD | |
| SCHEMBL3921411 | 0.74 | MAPK14 (0.46) | CYP2C9CYP2C19MEN1KMT2AALDH1A1 |
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-2593457-A1 | PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007375-A1 | PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |