Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22501374 | 0.96 | CYP2A6 (0.46) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL15020012 | 0.91 | ALDH1A1 (0.35) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL15084795 | 0.90 | CYP2A6 (0.38) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL15020356 | 0.89 | CYP2A6 (0.36) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL15046368 | 0.89 | HSP90AA1 (0.47) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL15046229 | 0.87 | CYP2A6 (0.36) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL13557589 | 0.86 | HSP90AA1 (0.41) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL13231588 | 0.85 | HSP90AA1 (0.42) | KMT2AALDH1A1MAPTMEN1KDM4E | |
| SCHEMBL15019771 | 0.85 | ALDH1A1 (0.33) | CYP2A6KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL31917 | 0.84 | PGR (0.44) | KMT2AALDH1A1MAPTMEN1KDM4E |
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-2013089460-A1 | NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME | 주식회사 두산 (KR) | 2013-06-20 | — | — | WO | disclosed |