Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL24858413 | 0.86 | HSD17B1 (0.37) | KMOMAOBMAOAHPGDACHE | |
| SCHEMBL24858683 | 0.74 | MAPK1 (0.37) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL5518679 | 0.70 | SRD5A2 (0.61) | MAPK1SRD5A2HTTHPGDNPC1 | |
| SCHEMBL21538290 | 0.69 | DEGS1 (0.49) | HTTNPC1RAB9ALMNACYP1A2 | |
| SCHEMBL24858672 | 0.69 | RXRA (0.56) | HDAC8HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL9475353 | 0.69 | SRD5A2 (0.59) | MAPK1SRD5A2HTTHPGDNPC1 | |
| SCHEMBL19772304 | 0.68 | SLC22A12 (0.40) | HDAC8KMONPC1RAB9ACYP1A2 | |
| SCHEMBL20176165 | 0.68 | HDAC8 (0.39) | HDAC8KMOMAPTKMT2A | |
| SCHEMBL24858407 | 0.68 | CA1 (0.38) | — | |
| SCHEMBL8967726 | 0.67 | SRD5A2 (0.57) | MAPK1SRD5A2HTTHPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023272410-A1 | ERα RECEPTOR COVALENT BINDING ANTAGONIST | 北京盛诺基医药科技股份有限公司 | 2023-01-05 | — | — | WO | disclosed |