Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL30230308 | 0.84 | IDO1 (0.50) | ADRA1AADRA1BDRD3DRD2DRD4 | |
| SCHEMBL18551301 | 0.84 | HTR1B (0.42) | HTR1BCYP1A2CYP3A4HRH1TSHR | |
| SCHEMBL7547832 | 0.81 | CHRM2 (0.62) | ADRA1AADRA1BADRA1DHTR1BHTR1A | |
| SCHEMBL6041506 | 0.81 | HTR1B (0.58) | HTR1BCYP1A2CYP3A4HRH1TSHR | |
| SCHEMBL11467209 | 0.80 | MEN1 (0.58) | DRD3DRD2DRD4DRD1SPR | |
| SCHEMBL7544201 | 0.80 | TMEM97 (0.55) | ADRB2ADRB1ADRB3DRD3DRD2 | |
| SCHEMBL17412612 | 0.76 | L3MBTL1 (0.60) | HTR1BCYP1A2CYP3A4HRH1TSHR | |
| SCHEMBL14001454 | 0.76 | CHRM2 (0.59) | ADRA1AADRA1BADRA1DHTR1AKDM4E | |
| SCHEMBL2307498 | 0.75 | TAAR1 (0.61) | DRD3DRD2DRD4NFKB1CYP1A2 | |
| Resorcinol SCHEMBL6428687 | 0.75 | LMNA (0.52) | ADRB2ADRB1ADRB3ADRA1AADRA1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1212301-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | Targacept, Inc. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001016107-A1 | ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2001-03-08 | — | — | WO | disclosed |