Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 7/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL3628526 | 0.77 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL29008293 | 0.77 | TDP1 (0.39) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| Hydrogen Sulfide SCHEMBL28258698 | 0.76 | ALDH1A1 (0.41) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL14776233 | 0.75 | TDP1 (0.46) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL7495271 | 0.74 | ALDH1A1 (0.51) | CYP2C19ALDH1A1HSD17B10SMN1; SMN2EPHX1 | |
| Hydrochloric Acid SCHEMBL28165709 | 0.74 | ALDH1A1 (0.40) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL8525111 | 0.72 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2EPHX1 | |
| SCHEMBL7072380 | 0.71 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL6676668 | 0.71 | TDP1 (0.42) | CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9 | |
| Fluoride SCHEMBL5698616 | 0.71 | KCNH3 (0.40) | TDP1ALDH1A1HSD17B10SMN1; SMN2ALOX15 |
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-2003026666-A1 | 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO)-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, AS SRC KINASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |