Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.58 |
| ▸ | ACHE | P22303 | 4/20 | 0.58 |
| ▸ | DRD2 | P14416 | 3/20 | 0.52 |
| ▸ | DRD4 | P21917 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4289978 | 0.85 | BCHE (0.69) | BCHEACHEDRD2DRD4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9381094 | 0.85 | BCHE (0.69) | BCHEACHEDRD2DRD4ALDH1A1 | |
| SCHEMBL4737224 | 0.82 | DRD2 (0.54) | BCHEACHEDRD2DRD4 | |
| SCHEMBL9382105 | 0.80 | DRD2 (0.54) | BCHEACHEDRD2DRD4 | |
| SCHEMBL221273 | 0.79 | ACHE (0.70) | BCHEACHEDRD2DRD4 | |
| SCHEMBL4696031 | 0.79 | BCHE (0.55) | BCHEACHEDRD2DRD4ALDH1A1 | |
| SCHEMBL4709902 | 0.78 | DRD2 (0.51) | BCHEACHEDRD2DRD4 | |
| SCHEMBL9381126 | 0.77 | DRD2 (0.52) | BCHEACHEDRD2DRD4 | |
| SCHEMBL4790504 | 0.77 | BCHE (0.50) | BCHEACHEDRD2DRD4 | |
| SCHEMBL4284930 | 0.76 | BCHE (0.52) | BCHEACHEALDH1A1LMNAHPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009158646-A1 | THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE | ELIXIR PHARMACEUTICALS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |
| EP-1898897-A2 | METHODS AND RELATED COMPOSITIONS FOR TREATING OR PREVENTING OBESITY, INSULIN RESISTANCE DISORDERS, AND MITOCHONDRIAL-ASSOCIATED DISORDERS | Sirtris Pharmaceuticals, Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| EP-1877054-A2 | NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF | Sirtris Pharmaceuticals, Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| EP-1853590-A1 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2007008548-A2 | METHODS AND RELATED COMPOSITIONS FOR TREATING OR PREVENTING OBESITY, INSULIN RESISTANCE DISORDERS, AND MITOCHONDRIAL-ASSOCIATED DISORDERS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | WO | disclosed |
| WO-2006105440-A2 | NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF | SIRTRIS PHARMACEUTICALS, INC. (US) | 2006-10-05 | — | — | WO | disclosed |
| WO-2006094235-A1 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2006-09-08 | — | — | WO | disclosed |
| EP-0606248-A1 | HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS | Eisai Co., Ltd. (JP) | 1994-07-20 | — | — | EP | disclosed |