Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL8612904 | 0.88 | HSD11B1 (0.34) | TDP1NR1I2TRPM8CMA1HSD11B1 | |
| SCHEMBL8611148 | 0.84 | RIPK1 (0.34) | TDP1CMA1 | |
| SCHEMBL6952411 | 0.79 | TDP1 (0.39) | TDP1HCAR2 | |
| SCHEMBL6953224 | 0.77 | TDP1 (0.39) | TDP1HCAR2 | |
| SCHEMBL8612852 | 0.75 | TDP1 (0.41) | TDP1HCAR2 | |
| SCHEMBL8613976 | 0.70 | TDP1 (0.43) | TDP1 | |
| SCHEMBL6959664 | 0.69 | DBH (0.36) | HSD11B1 | |
| SCHEMBL6958877 | 0.68 | TDP1 (0.45) | TDP1KDM4AKDM4C | |
| SCHEMBL6957692 | 0.67 | — | — | |
| Potassium Ion SCHEMBL6959314 | 0.66 | TDP1 (0.30) | TDP1 |
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 4 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 |
| EP-0757677-A1 | BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1997-02-12 | — | — | EP | disclosed |
| US-5538988-A | CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS | SYNTEX (U.S.A.) INC. | 1996-07-23 | — | — | US | disclosed |
| WO-1995029165-A2 | BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1995-11-02 | — | — | WO | disclosed |