Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.32 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6050437 | 0.84 | NAAA (0.36) | SMN1; SMN2 | |
| SCHEMBL9815063 | 0.83 | ALDH1A1 (0.38) | ALDH1A1MEN1CYP3A4MAPTKMT2A | |
| SCHEMBL8894777 | 0.80 | EPHX1 (0.42) | ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL29153766 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL18439 | 0.78 | EPHX1 (0.45) | ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL28720305 | 0.78 | EPHX1 (0.45) | ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL8896243 | 0.78 | EPHX1 (0.45) | ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL6050291 | 0.77 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2MEN1CYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL28284486 | 0.77 | EPHX1 (0.44) | ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2 | |
| SCHEMBL12506840 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0447947-A1 | N-(3-Phenyl-2-methylpropyl and -methyl-prop-2-enyl)-azaheterocycles | BASF Aktiengesellschaft (DE) | 1991-09-25 | — | — | EP | disclosed |