Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | BCR | P11274 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14653450 | 0.84 | MEN1 (0.44) | ALDH1A1TAAR1CYP3A4ALOX5ABL1 | |
| SCHEMBL14492415 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL14643579 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL20319075 | 0.81 | MAOA (0.44) | ALDH1A1TAAR1CYP3A4ALOX5MEN1 | |
| SCHEMBL5130299 | 0.79 | ALDH1A1 (0.69) | ALDH1A1EGFRTAAR1CYP1A2MAPK1 | |
| SCHEMBL4332773 | 0.76 | ALDH1A1 (0.75) | ALDH1A1EGFRTAAR1CYP1A2MAPK1 | |
| SCHEMBL481505 | 0.76 | ALDH1A1 (0.75) | ALDH1A1EGFRTAAR1CYP1A2MAPK1 | |
| SCHEMBL8452262 | 0.76 | ALDH1A1 (0.75) | ALDH1A1EGFRTAAR1CYP1A2MAPK1 | |
| SCHEMBL14419368 | 0.76 | MEN1 (0.51) | ALDH1A1TDP1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL14644816 | 0.73 | ALDH1A1 (0.45) | ALDH1A1EGFRHSD17B10MMP3BCL2L1 |
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-2019182400-A1 | COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2019-09-26 | — | — | WO | disclosed |