Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28265320 | 0.90 | PDPK1 (0.56) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL2115700 | 0.84 | HTT (0.63) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL3532080 | 0.83 | HTT (0.55) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL3532081 | 0.83 | HTT (0.55) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL6001031 | 0.83 | HTT (0.55) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL24106055 | 0.82 | EPHX1 (0.51) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL11748233 | 0.81 | HTT (0.60) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL6810979 | 0.79 | EPHX1 (0.62) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL27480299 | 0.78 | PDPK1 (0.58) | HTTKMT2AMEN1EPHX1SMN1; SMN2 | |
| SCHEMBL22525050 | 0.76 | ALDH1A1 (0.54) | HTTKMT2AMEN1EPHX1SMN1; 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 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 |