Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CPA1 | P15085 | 7/20 | 0.44 |
| ▸ | CPA3 | P15088 | 3/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18116069 | 0.88 | CYP1A2 (0.53) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL23699429 | 0.84 | CYP1A2 (0.51) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL14416884 | 0.81 | CSNK1E (0.44) | HDAC3HDAC1HDAC2NCOR2ATM | |
| SCHEMBL17150649 | 0.80 | CA2 (0.39) | HDAC3HDAC1HDAC2NCOR2ACE | |
| SCHEMBL17763116 | 0.80 | MEN1 (0.38) | HDAC3HDAC1HDAC2NCOR2ACE | |
| SCHEMBL14416877 | 0.79 | PSEN1 (0.48) | HDAC3HDAC1HDAC2NCOR2ATM | |
| SCHEMBL23288368 | 0.79 | LMNA (0.60) | HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL23699444 | 0.76 | FOLH1 (0.50) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL4781274 | 0.76 | HDAC3 (0.48) | CYP1A2HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL23099848 | 0.76 | ATM (0.42) | CYP1A2HDAC3HDAC1HDAC2NCOR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3858439-A1 | AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-08-04 | — | — | EP | disclosed |
| EP-3858439-A1 | AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-08-04 | — | — | EP | disclosed |