Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21557803 | 0.95 | ALDH1A1 (0.39) | ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1 | |
| SCHEMBL19534098 | 0.95 | ALDH1A1 (0.43) | ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1 | |
| SCHEMBL18562484 | 0.93 | NOS2 (0.36) | SMN1; SMN2NPC1RAB9ALMNAKDM4E | |
| SCHEMBL19315263 | 0.91 | ALDH1A1 (0.40) | ALDH1A1MAPK1SMN1; SMN2NPC1NFKB1 | |
| SCHEMBL23511549 | 0.82 | PTPN1 (0.30) | — | |
| SCHEMBL23511371 | 0.82 | PTPN1 (0.30) | — | |
| SCHEMBL19688289 | 0.82 | TAAR1 (0.37) | ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A | |
| SCHEMBL15860822 | 0.82 | NOS2 (0.41) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL16716228 | 0.81 | MAOA (0.37) | ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A | |
| SCHEMBL19688410 | 0.81 | TAAR1 (0.36) | ALDH1A1SMN1; SMN2NPC1NFKB1RAB9A |
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 |