Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 3/20 | 0.44 |
| ▸ | DRD2 | P14416 | 7/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6001637 | 0.94 | HCRTR1 (0.52) | HCRTR1CHRNA7HTR7DRD2HRH1 | |
| SCHEMBL6001602 | 0.88 | HCRTR1 (0.64) | HCRTR1CHRNA7HTR7DRD2HRH1 | |
| SCHEMBL7663736 | 0.83 | HCRTR1 (0.49) | HCRTR1CHRNA7TDP1 | |
| SCHEMBL7660437 | 0.83 | HCRTR1 (0.55) | HCRTR1CHRNA7DRD2HTR2CDRD4 | |
| SCHEMBL7664077 | 0.83 | RAD52 (0.46) | DRD2HRH1HTR2CDRD4TP53 | |
| SCHEMBL7660088 | 0.80 | HCRTR1 (0.52) | HCRTR1CHRNA7HTR2CTP53CYP2D6 | |
| SCHEMBL7680425 | 0.79 | CHRNA7 (0.67) | CHRNA7HTR2CHTR1A | |
| SCHEMBL7678292 | 0.79 | CHRNA7 (0.67) | CHRNA7HTR2CHTR1A | |
| SCHEMBL7680070 | 0.79 | CHRNA7 (0.67) | CHRNA7HTR2CHTR1A | |
| SCHEMBL7656016 | 0.79 | HCRTR1 (0.54) | HCRTR1CHRNA7HTR7HTR2CCYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6407093-B1 | (3,4-DIHYDRO-2H-BENZOTHIOPYRAN-4-YL)-HOMOPIPERAZINE DERIVATIVES; ANTIISCHEMIC AGENTS; ALZHEIMER*S AND PARKINSON*S DISEASE, AIDS RELATED DEMENTIA, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS | ASTRAZENECA UK LIMITED (GB) | 2002-06-18 | — | — | US | claimed |
| EP-1051416-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | AstraZeneca UK Limited (GB) | 2000-11-15 | — | — | EP | claimed |
| WO-1999038863-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | ASTRAZENECA UK LIMITED (GB) | 1999-08-05 | — | — | WO | claimed |
| US-6407093-B1 | (3,4-DIHYDRO-2H-BENZOTHIOPYRAN-4-YL)-HOMOPIPERAZINE DERIVATIVES; ANTIISCHEMIC AGENTS; ALZHEIMER*S AND PARKINSON*S DISEASE, AIDS RELATED DEMENTIA, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS | ASTRAZENECA UK LIMITED (GB) | 2002-06-18 | — | — | US | disclosed |
| EP-1051416-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | AstraZeneca UK Limited (GB) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999038863-A1 | 1,4-DIAZACYCLOHEPTANE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | ASTRAZENECA UK LIMITED (GB) | 1999-08-05 | — | — | WO | disclosed |