Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4833791 | 1.00 | CES2 (0.37) | CES2CES1ACHENFE2L2NPY2R | |
| SCHEMBL29954673 | 0.88 | GAA (0.38) | ACHENPY2RBCHEALDH1A1CA12 | |
| SCHEMBL5837673 | 0.87 | HTT (0.41) | NPY2RALDH1A1CA12CA1CA2 | |
| SCHEMBL571272 | 0.83 | EGFR (0.40) | NPY2RALDH1A1CA12CA1CA2 | |
| SCHEMBL4473496 | 0.83 | NPY2R (0.36) | ACHENPY2RTP53BCHECA12 | |
| SCHEMBL29952039 | 0.83 | MAPT (0.44) | NPY2RPGRTP53ALDH1A1OPRM1 | |
| SCHEMBL5851624 | 0.83 | MAPT (0.44) | NPY2RPGRTP53ALDH1A1OPRM1 | |
| SCHEMBL5851883 | 0.82 | FFAR1 (0.50) | CES2ACHENFE2L2TP53BCHE | |
| SCHEMBL29957710 | 0.82 | FFAR1 (0.50) | CES2ACHENFE2L2TP53BCHE | |
| SCHEMBL992209 | 0.82 | ACHE (0.42) | ACHETP53BCHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111936496-B | Heterocyclic compounds useful as medicaments | 马萨里克大学 | 2023-12-29 | — | — | CN | disclosed |