Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RRM1 | P23921 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7660088 | 0.88 | HCRTR1 (0.52) | HCRTR1CHRNA7HTR2CCYP2D6TSHR | |
| SCHEMBL7660437 | 0.84 | HCRTR1 (0.55) | HCRTR1CHRNA7HTR2C | |
| SCHEMBL7663736 | 0.82 | HCRTR1 (0.49) | HCRTR1CHRNA7KMT2ATDP1USP2 | |
| SCHEMBL7682663 | 0.81 | CHRNA7 (0.56) | CHRNA7HTR2C | |
| SCHEMBL7662719 | 0.81 | HCRTR1 (0.80) | HCRTR1CHRNA7CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL7682662 | 0.81 | CHRNA7 (0.56) | CHRNA7HTR2C | |
| SCHEMBL7684687 | 0.81 | CHRNA7 (0.56) | CHRNA7HTR2C | |
| SCHEMBL7652347 | 0.79 | HCRTR1 (0.51) | HCRTR1CHRNA7HTR2CCYP2D6CYP3A4 | |
| SCHEMBL6001637 | 0.76 | HCRTR1 (0.52) | HCRTR1CHRNA7HTR2CCYP2D6CYP3A4 | |
| SCHEMBL7532611 | 0.72 | CHRNA7 (0.53) | CHRNA7HTR2CKMT2A |
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 |