Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.73 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.73 |
| ▸ | RAB9A | P51151 | 4/20 | 0.69 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL27918500 | 0.88 | HDAC3 (0.65) | HDAC3HDAC1HDAC2RAB9AGAA | |
| SCHEMBL21870357 | 0.85 | HDAC3 (0.62) | HDAC3HDAC1HDAC2GAAABCB1 | |
| SCHEMBL31006493 | 0.85 | GAA (0.69) | HDAC3HDAC1HDAC2RAB9AGAA | |
| SCHEMBL28871770 | 0.85 | GAA (0.69) | HDAC3HDAC1HDAC2RAB9AGAA | |
| SCHEMBL18086514 | 0.84 | HDAC1 (1.00) | HDAC3HDAC1HDAC2HTTL3MBTL1 | |
| SCHEMBL10338265 | 0.84 | RAB9A (0.69) | HDAC3HDAC1HDAC2RAB9AHTT | |
| SCHEMBL14062228 | 0.84 | GAA (0.76) | HDAC3HDAC1HDAC2RAB9AGAA | |
| SCHEMBL29393380 | 0.84 | GAA (0.76) | HDAC3HDAC1HDAC2RAB9AGAA | |
| SCHEMBL28702824 | 0.83 | GAA (0.71) | HDAC3HDAC1HDAC2GAAABCB1 | |
| SCHEMBL1520536 | 0.83 | HDAC1 (0.70) | HDAC3HDAC1HDAC2GAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575918-A2 | SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2005-09-21 | — | — | EP | claimed |
| WO-2004056774-A2 | SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2004-07-08 | — | — | WO | claimed |
| EP-0083378-A1 | Tetrahydronicotinamide derivatives, a process for producing the same and a pharmaceutical composition comprising the same | Chugai Seiyaku Kabushiki Kaisha (JP) | 1983-07-13 | — | — | EP | disclosed |
| US-4361572-A | Tetrahydronicotinamide derivative, pharmaceutical compositions and use | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1982-11-30 | — | — | US | disclosed |