Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4428819 | 0.91 | GSK3B (0.48) | GSK3BCES2CES1PDE2AACP3 | |
| SCHEMBL4427290 | 0.83 | IDO1 (0.46) | CYP19A1CES2CES1ALDH1A1 | |
| SCHEMBL7523008 | 0.83 | ACP3 (0.55) | GSK3BACP3ALDH1A1TSHRKIF11 | |
| SCHEMBL168026 | 0.81 | ALDH1A1 (0.53) | PAX8CES2CES1CYP1A1CYP1B1 | |
| SCHEMBL23040160 | 0.79 | CYP19A1 (0.38) | CYP19A1PDE2ATSHR | |
| Bromomethane SCHEMBL27825372 | 0.79 | PAX8 (0.47) | GSK3BPAX8CES2CES1CYP1A1 | |
| SCHEMBL23960462 | 0.78 | PDE2A (0.47) | CYP19A1PAX8CES2CES1PDE2A | |
| SCHEMBL23960467 | 0.78 | PDE2A (0.47) | CYP19A1PAX8CES2CES1PDE2A | |
| SCHEMBL1350356 | 0.78 | PAX8 (0.49) | CYP19A1PAX8CES2CES1PDE2A | |
| SCHEMBL23960464 | 0.78 | PDE2A (0.47) | CYP19A1PAX8CES2CES1PDE2A |
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-0243904-B1 | Optionally substituted 1-(2'-[bis-(phenyl)-methoxy]-ethyl)-4-(3'[bis-(phenyl)-methoxy]propyl)piperazines, process for their preparation and medicines containing them | Richter Gedeon Vegyészeti Gyár R.T. (HU) | 1990-10-31 | — | — | EP | disclosed |
| US-4866062-A | TREATMENT OF DISEASES ARISING FROM A HYPOFUNCTION OF THE DOPAMINERGIC SYSTEM | RICHTER GEDEON VEGYESZETI GYAR (HU) | 1989-09-12 | — | — | US | disclosed |
| EP-0243904-A1 | Optionally substituted 1-(2'-[bis-(phenyl)-methoxy]-ethyl)-4-(3'[bis-(phenyl)-methoxy]propyl)piperazines, process for their preparation and medicines containing them | Richter Gedeon Vegyészeti Gyár R.T. (HU) | 1987-11-04 | — | — | EP | disclosed |