Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7450611 | 0.87 | FYN (0.45) | ALDH1A1MEN1KMT2ADRD3FYN | |
| SCHEMBL7449830 | 0.84 | MCOLN3 (0.44) | DRD3FYNHTR1AAKR1C3 | |
| SCHEMBL8108257 | 0.81 | DRD3 (0.48) | ALDH1A1DRD3FYNHTR1AHTR2A | |
| SCHEMBL8103882 | 0.76 | FYN (0.42) | ALDH1A1MEN1KMT2ADRD3FYN | |
| SCHEMBL7455176 | 0.73 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AKDM2BMAPK1 | |
| SCHEMBL12228075 | 0.68 | ALDH1A1 (0.66) | ALDH1A1MEN1KMT2AMMP2 | |
| SCHEMBL7403093 | 0.68 | DRD3 (0.59) | ALDH1A1DRD3FYNCYP2D6CYP2C9 | |
| SCHEMBL7861355 | 0.68 | DRD3 (0.55) | ALDH1A1DRD3FYNHTR1ACYP2D6 | |
| SCHEMBL10726996 | 0.67 | ALDH1A1 (0.86) | ALDH1A1MEN1KMT2AMMP2MAPK1 | |
| SCHEMBL8688726 | 0.67 | DRD3 (0.62) | ALDH1A1MEN1KMT2ADRD3FYN |
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 |
|---|---|---|---|---|---|---|---|
| US-6084130-A | FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY (US) | 2000-07-04 | — | — | US | disclosed |
| EP-0923542-A1 | ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1997045403-A1 | ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 1997-12-04 | — | — | WO | disclosed |