Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11537492 | 0.84 | DRD3 (0.55) | DRD2HTTOPRM1OPRK1LMNA | |
| Hydrochloric Acid SCHEMBL11535870 | 0.83 | DRD2 (0.43) | DRD2ADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL11536537 | 0.83 | DRD2 (0.43) | DRD2ADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL11536674 | 0.83 | DRD2 (0.46) | DRD2HTTDRD3OPRL1 | |
| SCHEMBL11537350 | 0.82 | LTA4H (0.59) | DRD2ADRA2AADRA2BADRA2CADRA1D | |
| Fumaric Acid SCHEMBL11534679 | 0.82 | DRD2 (0.45) | DRD2HTTOPRM1OPRK1MEN1 | |
| Maleic Acid SCHEMBL11534674 | 0.82 | DRD2 (0.45) | DRD2HTTOPRM1OPRK1MEN1 | |
| Hydrochloric Acid SCHEMBL11540300 | 0.81 | LTA4H (0.58) | DRD2ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL11540022 | 0.81 | DRD3 (0.49) | DRD2HTTOPRM1OPRK1DRD4 | |
| SCHEMBL11636249 | 0.77 | DRD2 (0.58) | DRD2ADRA2AADRA2BADRA2CADRA1D |
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-4140781-A | Analgesic and neuraleptic 2-piperidinoalkyl-1,4-benzodioxans | CIBA-GEIGY CORPORATION (US) | 1979-02-20 | — | — | US | disclosed |
| US-4129655-A | Neuroleptic 2-piperidinoalkyl-1,4-benzodioxans | CIBA-GEIGY CORPORATION (US) | 1978-12-12 | — | — | US | disclosed |
| US-4104396-A | NEUROLEPTIC, ANALGESIC | CIBA-GEIGY CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |