Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL17458828 | 0.88 | ALDH1A1 (0.58) | ALDH1A1CYP2A6SIGMAR1KCNH2CHRM2 | |
| Benzaldehyde SCHEMBL6676343 | 0.88 | ALDH1A1 (0.56) | ALDH1A1CYP2A6CHRM2ADRA2ACHRM1 | |
| Butylbenzyl SCHEMBL5394256 | 0.86 | SIGMAR1 (0.56) | ALDH1A1SIGMAR1KCNH2CHRM2HTR1A | |
| SCHEMBL219423 | 0.86 | ALDH1A1 (0.52) | ALDH1A1CHRM2ADRA2ACHRM1SLC6A2 | |
| Benzaldehyde SCHEMBL28129001 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP2A6SIGMAR1LMNATDP1 | |
| Butylbenzyl SCHEMBL27405586 | 0.84 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1KCNH2CHRM2HTR1A | |
| Butylbenzyl SCHEMBL27323048 | 0.84 | HPGD (0.55) | ALDH1A1SIGMAR1KCNH2ADRA1ASLC6A3 | |
| Butylbenzyl SCHEMBL28146178 | 0.84 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1KCNH2CHRM2HTR1A | |
| Butylbenzyl SCHEMBL27457857 | 0.84 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1KCNH2CHRM2HTR1A | |
| Butylbenzyl SCHEMBL3229215 | 0.83 | SIGMAR1 (0.59) | ALDH1A1SIGMAR1KCNH2CHRM2HTR1A |
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-3180086-A1 | LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS | Northeastern University (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2016014847-A1 | LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS | NORTHEASTERN UNIVERSITY (US) | 2016-01-28 | — | — | WO | disclosed |