Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 3/20 | 0.52 |
| ▸ | RORC | P51449 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3040413 | 0.79 | BRAF (0.34) | — | |
| SCHEMBL6749735 | 0.76 | VCAM1 (0.49) | NR1I2ALDH1A1TSHRCYP3A4CYP2C9 | |
| SCHEMBL18562081 | 0.73 | BRAF (0.41) | NR1I2ALDH1A1TSHR | |
| SCHEMBL13588718 | 0.70 | CA1 (0.39) | NR1I2RORCALDH1A1F2LMNA | |
| SCHEMBL10216056 | 0.67 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNA | |
| SCHEMBL11404947 | 0.66 | ESR1 (0.67) | NR1I2RORCALDH1A1TSHRESR1 | |
| SCHEMBL28001432 | 0.66 | ESR1 (0.63) | NR1I2TSHRL3MBTL1ESR1MAPK1 | |
| SCHEMBL11484294 | 0.66 | ESR1 (0.63) | NR1I2TSHRL3MBTL1ESR1MAPK1 | |
| SCHEMBL3039281 | 0.66 | TDP1 (0.46) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6868406 | 0.66 | RPS6KA2 (0.45) | ALDH1A1TSHRL3MBTL1ESR2 |
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-2008020203-A1 | PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |