Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.59 |
| ▸ | NCF1 | P14598 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.46 |
| ▸ | LTA4H | P09960 | 5/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL4976833 | 0.91 | ALDH1A1 (0.68) | PRMT6NCF1ALDH1A1HTTLTA4H | |
| SCHEMBL7761231 | 0.91 | PRMT6 (0.68) | PRMT6NCF1ALDH1A1HTT | |
| SCHEMBL13932969 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HTTPDCD1CD274LTA4H | |
| SCHEMBL3722397 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HTTPDCD1CD274LTA4H | |
| SCHEMBL25212788 | 0.82 | ALDH1A1 (0.58) | ALDH1A1 | |
| SCHEMBL8212538 | 0.82 | BCHE (0.56) | ALDH1A1HTTPDCD1CD274 | |
| SCHEMBL29864671 | 0.82 | ALDH1A1 (0.58) | ALDH1A1 | |
| SCHEMBL19710807 | 0.82 | BCHE (0.56) | ALDH1A1HTTPDCD1CD274 | |
| SCHEMBL608225 | 0.80 | ALDH1A1 (0.81) | ALDH1A1LTA4H | |
| SCHEMBL741364 | 0.80 | ALDH1A1 (0.81) | ALDH1A1LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-3194397-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | Chronos Therapeutics Limited (GB) | 2017-07-26 | — | — | EP | disclosed |
| EP-3194385-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | Chronos Therapeutics Limited (GB) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016042453-A1 | N-(HETERO)ARYL-SUBSTITUTED HETEROYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES OR CONDITIONS RELATED TO THE CENTRAL NERVOUS SYSTEM | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2016042451-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| EP-1255739-A1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2002-11-13 | — | — | EP | disclosed |
| WO-2001053273-A1 | 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2001-07-26 | — | — | WO | disclosed |