Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 3/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401456 | 0.87 | ACHE (0.47) | ACHEOPRM1OPRD1BCHEROCK2 | |
| SCHEMBL5056825 | 0.86 | SLC6A12 (0.44) | KDM4EALDH1A1 | |
| SCHEMBL4284931 | 0.86 | DRD4 (0.45) | ACHEOPRM1BCHE | |
| SCHEMBL4737226 | 0.81 | GAA (0.44) | ACHEBCHETSHRDCUN1D1 | |
| SCHEMBL9381193 | 0.79 | ROCK2 (0.50) | ACHEOPRM1OPRD1BCHEROCK2 | |
| SCHEMBL5809460 | 0.79 | AKT1 (0.46) | ACHEBCHE | |
| SCHEMBL4695202 | 0.78 | ACHE (0.54) | ACHEOPRM1OPRD1BCHEROCK2 | |
| SCHEMBL221655 | 0.78 | ACHE (0.57) | ACHEBCHE | |
| SCHEMBL9385986 | 0.72 | ROCK2 (0.47) | ACHEOPRM1OPRD1BCHEROCK2 | |
| SCHEMBL11690275 | 0.72 | ALDH1A1 (0.59) | ACHEOPRM1BCHECCR5TSHR |
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-1853590-A1 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS | Sirtris Pharmaceuticals, Inc. (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006094235-A1 | FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2006-09-08 | — | — | WO | disclosed |
| WO-2006078941-A2 | NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS OF USE THEREOF | SIRTRIS PHARMACEUTICALS, INC. (US) | 2006-07-27 | — | — | WO | disclosed |
| EP-0606248-A1 | HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS | Eisai Co., Ltd. (JP) | 1994-07-20 | — | — | EP | disclosed |