Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ATG7 | O95352 | 1/20 | 0.30 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31508067 | 0.69 | CA2 (0.35) | CA2CHKAASIC3 | |
| SCHEMBL24061730 | 0.67 | JAK3 (0.42) | — | |
| SCHEMBL16290804 | 0.67 | CDK2 (0.37) | CA2CHKAALOX5APFEN1 | |
| SCHEMBL10187127 | 0.66 | HRH4 (0.56) | ALOX5APFEN1 | |
| SCHEMBL13741278 | 0.65 | — | — | |
| SCHEMBL15616646 | 0.64 | NOS3 (0.37) | KDM1A | |
| SCHEMBL797147 | 0.64 | CRBN (0.54) | — | |
| SCHEMBL125453 | 0.64 | — | — | |
| SCHEMBL1928183 | 0.62 | CRBN (0.42) | — | |
| SCHEMBL24692145 | 0.62 | KDM5B (0.36) | CA2CHKAFEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3390387-B1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | Bayer Pharma AG (DE) | 2021-11-17 | — | — | EP | disclosed |