Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.50 |
| ▸ | PNMT | P11086 | 2/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.44 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.44 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL978284 | 0.90 | HDAC6 (0.59) | HDAC6ESR2NR1H2BRD4CREBBP | |
| SCHEMBL743782 | 0.82 | HDAC6 (0.54) | HDAC6ESR2TPSAB1TPSD1TPSG1 | |
| SCHEMBL7795097 | 0.82 | HDAC6 (0.51) | HDAC6ESR2NR1H2MAPK1KDM4E | |
| SCHEMBL977061 | 0.82 | PNMT (0.70) | PNMTTPSAB1TPSD1TPSG1MAPK1 | |
| SCHEMBL27081538 | 0.81 | HDAC6 (0.59) | HDAC6ESR2NR1H2MAPK1KDM4E | |
| SCHEMBL29964789 | 0.81 | HDAC6 (0.61) | HDAC6TPSAB1TPSD1TPSG1MAPK1 | |
| Hydrochloric Acid SCHEMBL6421343 | 0.81 | PNMT (0.68) | PNMTTPSAB1TPSD1TPSG1MAPK1 | |
| SCHEMBL1174513 | 0.80 | HDAC6 (0.72) | HDAC6ESR2NR1H2BRD4CREBBP | |
| SCHEMBL8555269 | 0.80 | HDAC6 (0.54) | HDAC6PNMTESR2TPSAB1TPSD1 | |
| SCHEMBL6421478 | 0.79 | NR1H2 (0.54) | HDAC6PNMTESR2TPSAB1TPSD1 |
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-3004057-A1 | HETEROCYCLIC DERIVATIVES AND USE THEREOF | C&C Research Laboratories (KR) | 2016-04-13 | — | — | EP | disclosed |
| WO-2014196793-A1 | HETEROCYCLIC DERIVATIVES AND USE THEREOF | C&C RESEARCH LABORATORIES (KR) | 2014-12-11 | — | — | WO | disclosed |