Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.80 |
| ▸ | SRC | P12931 | 1/20 | 0.59 |
| ▸ | BRAF | P15056 | 1/20 | 0.47 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8574371 | 0.89 | EGFR (1.00) | EGFRSRCALDH1A1LMNANPC1 | |
| SCHEMBL4358045 | 0.89 | EGFR (0.76) | EGFRSRCALDH1A1LMNANPC1 | |
| SCHEMBL7256744 | 0.86 | EGFR (0.70) | EGFRSRCRETALDH1A1LMNA | |
| SCHEMBL8578711 | 0.85 | EGFR (0.78) | EGFRSRCBRAFRETALDH1A1 | |
| SCHEMBL4361477 | 0.83 | EGFR (0.73) | EGFRSRCALDH1A1LMNANPC1 | |
| SCHEMBL7262295 | 0.75 | ALDH1A1 (0.57) | EGFRRETALDH1A1NPC1MEN1 | |
| SCHEMBL8572719 | 0.74 | EGFR (0.73) | EGFRSRCBRAFALDH1A1LMNA | |
| SCHEMBL8574541 | 0.74 | EGFR (1.00) | EGFRSRCBRAFALDH1A1MEN1 | |
| SCHEMBL8576483 | 0.73 | MEN1 (0.49) | EGFRBRAFRETALDH1A1LMNA | |
| SCHEMBL7256852 | 0.71 | ALDH1A1 (0.56) | EGFRALDH1A1NPC1CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998017662-A1 | PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | claimed |
| WO-2009070328-A1 | MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-06-04 | — | — | WO | disclosed |
| WO-1998017662-A1 | PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | disclosed |