Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5151815 | 0.83 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL2430732 | 0.79 | AKR1C3 (0.38) | AKR1C3AKR1C2AKR1C1LMNASMN1; SMN2 | |
| SCHEMBL28041376 | 0.77 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1LMNA | |
| SCHEMBL28041375 | 0.77 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1LMNA | |
| SCHEMBL30231208 | 0.76 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL536349 | 0.76 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL2412837 | 0.74 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1C1PTGS1STING1 | |
| SCHEMBL1589867 | 0.73 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1AKR1B10 | |
| SCHEMBL28784595 | 0.71 | MAPT (0.35) | AKR1C3AKR1C2LMNAALDH1A1RAB9A | |
| SCHEMBL29889833 | 0.70 | POLB (0.53) | AKR1C3AKR1C2AKR1C1PTGS1LMNA |
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-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |