Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6958050 | 1.00 | HTR1D (0.45) | HTR1DHTR1BPSEN1PSEN2APH1B | |
| SCHEMBL6957838 | 1.00 | HTR1D (0.45) | HTR1DHTR1BPSEN1PSEN2APH1B | |
| SCHEMBL6958304 | 0.94 | HTR1D (0.39) | HTR1DHTR1BPSEN1PSEN2APH1B | |
| SCHEMBL6951816 | 0.94 | HTR1D (0.39) | HTR1DHTR1BPSEN1PSEN2APH1B | |
| SCHEMBL6951811 | 0.94 | HTR1D (0.39) | HTR1DHTR1BPSEN1PSEN2APH1B | |
| SCHEMBL6951218 | 0.83 | HDAC8 (0.32) | ACHECA1CA2CYP1A2CYP3A4 | |
| SCHEMBL7958716 | 0.82 | CA1 (0.53) | ACHECA1CA2CYP3A4ALDH1A1 | |
| SCHEMBL6953263 | 0.80 | CA1 (0.45) | CA1CA2SLC6A4HTR2C | |
| SCHEMBL4857120 | 0.80 | CA1 (0.45) | CA1CA2SLC6A4HTR2C | |
| SCHEMBL6957962 | 0.78 | HTR6 (0.32) | ALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0757677-B1 | BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES | SYNTEX LLC (US) | 2003-06-18 | — | — | EP | disclosed |
| US-5719280-A | REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID | SYNTEX (U.S.A.) INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5538988-A | CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. | 1996-07-23 | — | — | US | disclosed |