Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 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 | |
|---|---|---|---|---|
| SCHEMBL11704158 | 0.95 | EGFR (0.42) | EGFRKDM4EALDH1A1POLBLMNA | |
| SCHEMBL57892 | 0.83 | EGFR (0.50) | EGFRKDM4EALDH1A1LMNAKMT2A | |
| SCHEMBL29618252 | 0.79 | EGFR (0.47) | EGFRKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1261572 | 0.79 | EGFR (0.47) | EGFRKDM4EALDH1A1POLBLMNA | |
| Anthraquinone SCHEMBL20262985 | 0.75 | EGFR (0.41) | EGFRKDM4EALDH1A1KMT2ANPC1 | |
| SCHEMBL960574 | 0.74 | CYP3A4 (0.57) | EGFRKDM4EALDH1A1LMNAKMT2A | |
| SCHEMBL11072494 | 0.74 | PI4KA (0.53) | EGFRKDM4EALDH1A1POLBLMNA | |
| SCHEMBL5545202 | 0.73 | ALDH1A1 (0.62) | KDM4EALDH1A1POLBLMNAKMT2A | |
| SCHEMBL29351158 | 0.73 | ALDH1A1 (0.62) | KDM4EALDH1A1POLBLMNAKMT2A | |
| SCHEMBL8128384 | 0.72 | EGFR (0.53) | EGFRKDM4EALDH1A1POLBLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0057358-B1 | PROCESS FOR THE PREPARATION OF ANTHRAQUINONE VAT DYES | BAYER AG (DE) | 1983-10-12 | — | — | EP | disclosed |
| EP-0057358-A2 | Process for the preparation of anthraquinone vat dyes | BAYER AG (DE) | 1982-08-11 | — | — | EP | disclosed |