Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 4/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14577008 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CYP2C19MAPTMMP8 | |
| SCHEMBL14576862 | 1.00 | ALDH1A1 (0.46) | ALDH1A1CYP2D6CYP2C19MAPTMMP8 | |
| SCHEMBL10246348 | 0.87 | ALDH1A1 (0.40) | ALDH1A1MAPTMMP8KDM4ETHRB | |
| SCHEMBL14576889 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP2D6CYP2C19MAPTMMP8 | |
| SCHEMBL14576881 | 0.83 | MAPT (0.55) | ALDH1A1CYP2D6CYP2C19MAPTMMP8 | |
| SCHEMBL14611679 | 0.80 | MAPT (0.45) | ALDH1A1CYP2D6CYP2C19MAPTKDM4E | |
| SCHEMBL14611821 | 0.80 | MAPT (0.45) | ALDH1A1CYP2D6CYP2C19MAPTKDM4E | |
| SCHEMBL14611729 | 0.80 | MAPT (0.45) | ALDH1A1CYP2D6CYP2C19MAPTKDM4E | |
| SCHEMBL14577264 | 0.80 | CYP2D6 (0.46) | ALDH1A1CYP2D6CYP2C19MAPTMMP8 | |
| SCHEMBL24654168 | 0.79 | SIRT6 (0.48) | ALDH1A1KDM4ECA1CA2NMT2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7183307-B2 | Pyrazole-derived kinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCROPORATED (US) | 2007-02-27 | — | — | US | disclosed |
| US-7183307-B2 | Pyrazole-derived kinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCROPORATED (US) | 2007-02-27 | — | — | US | disclosed |