Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 3/20 | 0.52 |
| ▸ | GYPA | P02724 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 2/20 | 0.36 |
| ▸ | UGCG | Q16739 | 2/20 | 0.36 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14655081 | 0.85 | SLC6A2 (0.44) | PDE4DGYPATSHRALDH1A1TAAR1 | |
| SCHEMBL291876 | 0.85 | SLC6A2 (0.44) | PDE4DGYPATSHRALDH1A1TAAR1 | |
| SCHEMBL10755388 | 0.85 | SLC6A2 (0.44) | PDE4DGYPATSHRALDH1A1TAAR1 | |
| SCHEMBL12769967 | 0.85 | TDP1 (0.40) | PDE4DGYPAGBA1UGCGGBA2 | |
| SCHEMBL15892811 | 0.84 | SLC6A2 (0.44) | PDE4DGYPATSHRALDH1A1TAAR1 | |
| SCHEMBL13156255 | 0.80 | TSHR (0.39) | PDE4DTSHRALDH1A1TAAR1SLC6A2 | |
| SCHEMBL12770603 | 0.80 | TSHR (0.39) | PDE4DTSHRALDH1A1TAAR1SLC6A2 | |
| SCHEMBL29558404 | 0.80 | ALDH1A1 (0.46) | PDE4DGYPAALDH1A1SLC6A2POLB | |
| SCHEMBL22333927 | 0.80 | ALDH1A1 (0.46) | PDE4DGYPAALDH1A1SLC6A2POLB | |
| SCHEMBL22333926 | 0.80 | ALDH1A1 (0.46) | PDE4DGYPAALDH1A1SLC6A2POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-4803272-A | S-modified adenosyl-1,8-diamino-3-thiooctane derivatives | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-02-07 | — | — | US | disclosed |