Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22143482 | 1.00 | ALDH1A1 (0.65) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL20160839 | 1.00 | ALDH1A1 (0.65) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL20160809 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL22143498 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL20160838 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL22143503 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL22143380 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL22143646 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL22143642 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL22143499 | 0.98 | ALDH1A1 (0.61) | ALDH1A1MAPK1CYP1A2NPC1RAB9A |
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-2018087346-A1 | COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP | MERCK PATENT GMBH (DE) | 2018-05-17 | — | — | WO | disclosed |