Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL4719766 | 0.68 | CA1 (0.41) | ALDH1A1KDM4CKDM4APHF8KDM2A | |
| SCHEMBL14593905 | 0.65 | POLB (0.47) | ALDH1A1KDM4CKDM4APHF8KDM2A | |
| SCHEMBL28850931 | 0.64 | ALDH1A1 (0.37) | ALDH1A1KDM4CKDM4APHF8KDM2A | |
| SCHEMBL3367603 | 0.64 | ALDH1A1 (0.37) | ALDH1A1KDM4CKDM4APHF8KDM2A | |
| SCHEMBL1966627 | 0.64 | KDM4C (0.33) | KDM4CKDM4APHF8KDM2A | |
| SCHEMBL12569043 | 0.63 | KDM4C (0.50) | KDM4CKDM4APHF8KDM2ACA1 | |
| SCHEMBL3269727 | 0.63 | CA1 (0.37) | ALDH1A1KDM4CKDM4APHF8KDM2A | |
| SCHEMBL23485462 | 0.61 | KDM4C (0.49) | KDM4CKDM4APHF8KDM2A | |
| Water SCHEMBL11526103 | 0.61 | CA12 (0.35) | ALDH1A1KDM4CKDM4APHF8KDM2A | |
| SCHEMBL17473160 | 0.61 | KDM4C (0.41) | ALDH1A1KDM4CKDM4APHF8KDM2A |
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-2336122-A1 | 1-pyrimidinyl- or 1-pyridinyl-2-amino benzimidazole derivatives and related compounds as inhibitors of protein kinases for the treatment of cancer | Vertex Pharmaceuticals Incorporated (US) | 2011-06-22 | — | — | EP | disclosed |