Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28096106 | 0.87 | HDAC6 (0.47) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL21576352 | 0.86 | HDAC6 (0.48) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL24158776 | 0.84 | HDAC6 (0.51) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL24159186 | 0.76 | GAA (0.38) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL12286460 | 0.75 | HDAC6 (0.57) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL21576359 | 0.70 | HDAC6 (0.52) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL31352213 | 0.68 | KDM4E (0.36) | HDAC6ALDH1A1 | |
| SCHEMBL2517943 | 0.68 | CHRNB2 (0.38) | HDAC6HDAC1HDAC2HSP90AA1 | |
| SCHEMBL9124207 | 0.67 | NOTUM (0.50) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL24159227 | 0.66 | CFB (0.35) | HDAC6HPGD |
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-3793565-B1 | MCL-1 INHIBITORS | GILEAD SCIENCES INC (US) | 2022-01-05 | — | — | EP | disclosed |