Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18786172 | 0.93 | ALDH1A1 (0.43) | ALDH1A1MAPK1KDM4ELMNAMAPT | |
| SCHEMBL16850477 | 0.90 | ALDH1A1 (0.37) | ALDH1A1MAPK1KDM4ELMNAMAPT | |
| SCHEMBL18787216 | 0.84 | TAAR1 (0.38) | ALDH1A1MAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL20733760 | 0.83 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL18786351 | 0.83 | TAAR1 (0.37) | ALDH1A1MAPTHPGDCYP1A2CYP3A4 | |
| SCHEMBL17725990 | 0.82 | KDM4E (0.33) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 | |
| SCHEMBL18786354 | 0.82 | CYP1A2 (0.40) | ALDH1A1MAPK1MAPTHPGDHTT | |
| SCHEMBL17905865 | 0.79 | KDM4E (0.31) | ALDH1A1KDM4ELMNAMAPTHPGD | |
| SCHEMBL27337735 | 0.79 | — | — | |
| SCHEMBL23511516 | 0.78 | PTPN1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2695882-B1 | ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION CONTAINING SAID COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE | MITSUBISHI CHEM CORP (JP) | 2017-03-01 | — | — | EP | disclosed |