Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL19889440 | 0.81 | DYRK1A (0.43) | ALDH1A1HSD17B10TDP1PTGS2MLNR | |
| SCHEMBL16381954 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1PTGS2MLNR | |
| SCHEMBL6860906 | 0.77 | CYP4F2 (0.42) | ALDH1A1HSD17B10TDP1PTGS2MLNR | |
| SCHEMBL6861402 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TDP1PTGS2MLNR | |
| SCHEMBL6855472 | 0.77 | CYP4F2 (0.43) | ALDH1A1HSD17B10TDP1PTGS2ESR1 | |
| SCHEMBL10366405 | 0.76 | ESR1 (0.51) | ESR1ESR2 | |
| SCHEMBL27937706 | 0.75 | ESR1 (0.61) | MLNRADRB2ADRB1HTR1AADRA2A | |
| SCHEMBL8126109 | 0.73 | CYP4F2 (0.39) | ALDH1A1HSD17B10TDP1PTGS2MLNR | |
| SCHEMBL8804880 | 0.73 | HTR1A (0.45) | HTR1AADRA2ADRD2ADRA2BADRA2C | |
| SCHEMBL9151283 | 0.73 | HTR1A (0.45) | HTR1AADRA2ADRD2ADRA2BADRA2C |
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-3233087-A1 | GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS | Axovant Sciences GmbH (DE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100184-A1 | GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS | FORUM PHARMACEUTICALS, INC. (US) | 2016-06-23 | — | — | WO | disclosed |