Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | DRD3 | P35462 | 3/20 | 0.35 |
| ▸ | GLB1 | P16278 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL6531561 | 0.94 | SIGMAR1 (0.40) | SIGMAR1MAPK1HTR2AALDH1A1CYP1A2 | |
| SCHEMBL151370 | 0.88 | — | — | |
| SCHEMBL84935 | 0.72 | ALDH1A1 (0.61) | SIGMAR1MAPK1HTR2AALDH1A1CYP1A2 | |
| SCHEMBL16877266 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL25342847 | 0.70 | MAPK1 (0.62) | SIGMAR1MAPK1HTR2AALDH1A1CYP1A2 | |
| Bromide SCHEMBL27075773 | 0.70 | ALDH1A1 (0.59) | SIGMAR1MAPK1HTR2AALDH1A1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL27204552 | 0.70 | ALDH1A1 (0.59) | SIGMAR1MAPK1HTR2AALDH1A1CYP1A2 | |
| SCHEMBL1199910 | 0.68 | — | — | |
| Methylamine SCHEMBL28409498 | 0.68 | KEAP1 (0.61) | SIGMAR1MAPK1HTR2AALDH1A1CYP1A2 | |
| SCHEMBL3130672 | 0.68 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810209-A2 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | claimed |
| CN-101128427-B | Heterocyclic compounds as ccr2b antagonists | ASTRAZENECA AB | 2013-03-27 | — | — | CN | disclosed |
| CN-101128461-B | Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors | LILLY CO ELI | 2010-12-22 | — | — | CN | disclosed |
| CN-101128427-A | Heterocyclic compounds as ccr2b antagonists | ASTRAZENECA AB (SE) | 2008-02-20 | — | — | CN | disclosed |
| CN-101128461-A | Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors | LILLY CO ELI (US) | 2008-02-20 | — | — | CN | disclosed |
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |
| EP-0958817-A1 | COMPOSITION CONTAINING DIARYLALKANE DERIVATIVE AS THE ACTIVE INGREDIENT FOR TREATING OR PREVENTING PANCREATITIS | SANKYO COMPANY LIMITED (JP) | 1999-11-24 | — | — | EP | disclosed |
| EP-0844000-A1 | Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis | SANKYO COMPANY LIMITED (JP) | 1998-05-27 | — | — | EP | disclosed |
| EP-0810209-A2 | Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | disclosed |
| US-5556864-A | TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS | SANKYO COMPANY, LIMITED (JP) | 1996-09-17 | — | — | US | disclosed |
| EP-0600717-A1 | Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis | SANKYO COMPANY LIMITED (JP) | 1994-06-08 | — | — | EP | disclosed |