Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 8/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.33 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
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 | 0.86 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL2432649 | 0.79 | AKR1C3 (0.40) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL30231208 | 0.79 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL536349 | 0.79 | AKR1C3 (0.44) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL1589867 | 0.75 | AKR1C3 (0.46) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL13532054 | 0.75 | KMT2A (0.38) | KDM4ESMN1; SMN2 | |
| SCHEMBL30193006 | 0.73 | AKR1C3 (0.45) | AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1590616 | 0.72 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL16963923 | 0.71 | CES2 (0.46) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL29010117 | 0.71 | KEAP1 (0.47) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 |
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 |