Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 12/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19004849 | 0.94 | HPGDS (0.44) | IRAK4CYP1A2CYP3A4CYP2D6LMNA | |
| SCHEMBL19005056 | 0.83 | HPGDS (0.40) | IRAK4LMNAHPGDSEGFRPKM | |
| SCHEMBL19004855 | 0.76 | BTK (0.40) | EGFR | |
| SCHEMBL22897343 | 0.75 | EGFR (0.44) | CYP1A2CYP3A4CYP2D6LMNAHPGDS | |
| SCHEMBL17369356 | 0.74 | GSK3B (0.46) | TSHRALDH1A1 | |
| SCHEMBL23555498 | 0.74 | IRAK4 (0.44) | IRAK4CYP1A2CYP3A4CYP2D6LMNA | |
| SCHEMBL28890932 | 0.74 | HPGDS (0.42) | IRAK4CYP3A4LMNAHPGDSEGFR | |
| SCHEMBL24344303 | 0.73 | IRAK4 (0.43) | IRAK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL29534716 | 0.73 | IRAK4 (0.43) | IRAK4CYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL24344307 | 0.71 | CYP3A4 (0.45) | IRAK4CYP1A2CYP3A4CYP2D6USP2 |
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-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |