Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 13/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL14138580 | 0.83 | CACNA1H (0.43) | ALDH1A1KDM4EBRAFPKM | |
| SCHEMBL14138576 | 0.81 | HPGD (0.43) | ALDH1A1BRAFPKM | |
| SCHEMBL3600946 | 0.80 | PKM (0.61) | BRAFPKM | |
| SCHEMBL14138522 | 0.77 | BRAF (0.42) | BRAFPKM | |
| SCHEMBL14138705 | 0.76 | SCD (0.40) | ALDH1A1L3MBTL1BRAFNPSR1 | |
| SCHEMBL14138708 | 0.76 | PKM (0.38) | BRAFPKM | |
| SCHEMBL14138603 | 0.73 | PKM (0.37) | BRAFPKM | |
| SCHEMBL14138535 | 0.73 | PRKCI (0.38) | ALDH1A1BRAFPKM | |
| SCHEMBL14138527 | 0.72 | PKM (0.36) | BRAFPKM | |
| SCHEMBL14138578 | 0.71 | CYP2C9 (0.41) | ALDH1A1KDM4EBRAFNPSR1POLB |
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-2008079277-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |