Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.66 |
| ▸ | SRC | P12931 | 2/20 | 0.60 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.47 |
| ▸ | KIT | P10721 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8575803 | 0.80 | EGFR (0.73) | EGFRSRCGRIN2DGRIN3BGRIN1 | |
| SCHEMBL8574371 | 0.80 | EGFR (1.00) | EGFRSRCMAPTCYP1A2GRIN1 | |
| SCHEMBL8574541 | 0.75 | EGFR (1.00) | EGFRSRCMAPTTP53ABL1 | |
| SCHEMBL4348516 | 0.72 | EGFR (0.58) | EGFRSRCABL1AURKACDK4 | |
| SCHEMBL2430311 | 0.70 | ALDH1A1 (0.52) | EGFRSRCPDGFRBKITKDR | |
| SCHEMBL4359046 | 0.68 | EGFR (0.80) | EGFRSRCMAPTCYP1A2CYP1B1 | |
| SCHEMBL7262295 | 0.66 | ALDH1A1 (0.57) | EGFRMAPTTP53MEN1KMT2A | |
| SCHEMBL4358045 | 0.66 | EGFR (0.76) | EGFRSRCMAPTCYP1A2TP53 | |
| SCHEMBL8872044 | 0.65 | EGFR (0.55) | EGFRKDRMAPTCYP1A2GSK3B | |
| SCHEMBL30929865 | 0.64 | TUBB4A (0.53) | PDGFRBKITKDRTUBB4ATUBB |
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 |