Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.36 |
| ▸ | KDM1A | O60341 | 6/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 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 | |
|---|---|---|---|---|
| SCHEMBL29548978 | 1.00 | ACHE (0.36) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| SCHEMBL8253437 | 1.00 | ACHE (0.36) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| SCHEMBL22628699 | 1.00 | ACHE (0.36) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL29020128 | 0.98 | ACHE (0.39) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL29961672 | 0.98 | ACHE (0.39) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL8612954 | 0.98 | ACHE (0.39) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| SCHEMBL15109677 | 0.88 | ACHE (0.40) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| SCHEMBL8183412 | 0.84 | ACHE (0.36) | ACHEKDM1AKDM1BCYP11B1CYP11B2 | |
| SCHEMBL31730446 | 0.84 | KDM1A (0.49) | ACHEKDM1AKDM1BKCNH2 | |
| SCHEMBL803167 | 0.80 | ACHE (0.40) | ACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |