Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9061997 | 0.99 | HDAC3 (0.36) | HDAC3HDAC1HDAC2KIF11MC4R | |
| SCHEMBL9060893 | 0.99 | HDAC3 (0.36) | HDAC3HDAC1HDAC2KIF11MC4R | |
| SCHEMBL9060800 | 0.99 | HDAC3 (0.38) | HDAC3HDAC1HDAC2KIF11MC4R | |
| SCHEMBL9060193 | 0.96 | HDAC3 (0.38) | HDAC3HDAC1HDAC2KIF11MC4R | |
| SCHEMBL9062034 | 0.95 | HDAC3 (0.39) | HDAC3HDAC1HDAC2KIF11MC4R | |
| SCHEMBL9060695 | 0.91 | CTSL (0.40) | HDAC3HDAC1HDAC2KIF11FFAR1 | |
| SCHEMBL9061447 | 0.89 | CTSL (0.41) | HDAC3HDAC1HDAC2KIF11FFAR1 | |
| SCHEMBL10534018 | 0.86 | FAAH (0.47) | HDAC3HDAC1HDAC2FFAR1FFAR4 | |
| SCHEMBL10532290 | 0.85 | FAAH (0.49) | — | |
| SCHEMBL10532714 | 0.85 | FAAH (0.49) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5324449-A | Substituted phenyl trifluoromethyl ethers | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1994-06-28 | — | — | US | disclosed |
| EP-0334911-B1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |
| EP-0334911-A1 | SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS | MERCK PATENT GmbH (DE) | 1989-10-04 | — | — | EP | disclosed |