Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16850477 | 0.97 | ALDH1A1 (0.37) | ALDH1A1MAPK1HPGDKDM4ELMNA | |
| SCHEMBL18562487 | 0.93 | ALDH1A1 (0.40) | ALDH1A1MAPK1HPGDKDM4ELMNA | |
| SCHEMBL17905865 | 0.85 | KDM4E (0.31) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL18965405 | 0.83 | ALDH1A1 (0.33) | ALDH1A1HPGDCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL18852236 | 0.82 | TNKS2 (0.38) | ALDH1A1HPGDKDM4EMAPTCYP2C9 | |
| SCHEMBL18787216 | 0.82 | TAAR1 (0.38) | ALDH1A1HPGDMAPTCYP2C9CYP2C19 | |
| SCHEMBL17905867 | 0.81 | — | — | |
| SCHEMBL20733760 | 0.81 | ALDH1A1 (0.37) | ALDH1A1HPGDKDM4EMAPTCYP2C9 | |
| SCHEMBL18731711 | 0.81 | CYP1A2 (0.38) | ALDH1A1MAPK1HPGDKDM4EMAPT | |
| SCHEMBL17905832 | 0.81 | PRKCZ (0.41) | ALDH1A1HPGDKDM4EHTTCYP2C9 |
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-2017069443-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2017-04-27 | — | — | WO | disclosed |