Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2302449 | 0.88 | TUBB4A (0.42) | EGFRSRCALDH1A1PTGS2CNR1 | |
| SCHEMBL5960508 | 0.78 | EGFR (0.56) | EGFRSRCALDH1A1IDO1TDO2 | |
| SCHEMBL4189420 | 0.78 | EGFR (0.56) | EGFRSRCALDH1A1IDO1TDO2 | |
| SCHEMBL6166809 | 0.77 | EGFR (0.55) | EGFRSRCALDH1A1IDO1TDO2 | |
| SCHEMBL9051693 | 0.77 | EGFR (0.66) | EGFRSRCALDH1A1IDO1TDO2 | |
| SCHEMBL29414726 | 0.77 | EGFR (0.51) | EGFRSRCALDH1A1IDO1TDO2 | |
| SCHEMBL29484406 | 0.74 | EGFR (0.48) | EGFRSRCALDH1A1IDO1TDO2 | |
| SCHEMBL29484405 | 0.74 | EGFR (0.48) | EGFRSRCALDH1A1IDO1TDO2 | |
| SCHEMBL8780773 | 0.71 | CNR1 (0.51) | EGFRSRCALDH1A1PTGS2CNR1 | |
| Carbazole SCHEMBL1352178 | 0.71 | EGFR (0.54) | EGFRSRCALDH1A1IDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1147107-A4 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO INC (US) | 2002-05-22 | — | — | EP | disclosed |
| EP-1147107-A1 | NOVEL ANGIOGENESIS INHIBITORS | Merck & Co., Inc. (US) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000043393-A1 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO., INC. (US) | 2000-07-27 | — | — | WO | disclosed |