Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ARG1 | P05089 | 1/20 | 0.44 |
| ▸ | ARG2 | P78540 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 15/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 10/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL23719118 | 1.00 | KMT2A (0.48) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| SCHEMBL23719120 | 1.00 | KMT2A (0.48) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL23699217 | 0.99 | KMT2A (0.48) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL23699215 | 0.99 | KMT2A (0.48) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL23699268 | 0.99 | KMT2A (0.48) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| SCHEMBL23719083 | 0.83 | OPRL1 (0.41) | OPRL1OPRM1OPRK1 | |
| SCHEMBL25375448 | 0.82 | ROCK2 (0.52) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| SCHEMBL31263918 | 0.82 | ROCK2 (0.52) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| SCHEMBL25377868 | 0.82 | ROCK2 (0.52) | KMT2AROCK2CYP3A4ARG1ARG2 | |
| Hydrochloric Acid SCHEMBL23699334 | 0.82 | OPRL1 (0.41) | OPRL1OPRM1OPRK1 |
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-3858439-A1 | AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-08-04 | — | — | EP | disclosed |