Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 8/20 | 0.38 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | RNPEP | Q9H4A4 | 2/20 | 0.34 |
| ▸ | DNPEP | Q9ULA0 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | LAP3 | P28838 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11456299 | 0.88 | ALDH1A1 (0.33) | TSHRALDH1A1MAPK1 | |
| SCHEMBL82618 | 0.78 | ANPEP (0.41) | ANPEPERAP2ERAP1TSHRCYP3A4 | |
| SCHEMBL28173971 | 0.78 | HRH3 (0.34) | LMNATDP1 | |
| SCHEMBL82617 | 0.78 | ANPEP (0.41) | ANPEPERAP2ERAP1TSHRCYP3A4 | |
| SCHEMBL30758023 | 0.78 | — | — | |
| SCHEMBL7054800 | 0.78 | — | — | |
| SCHEMBL56910 | 0.77 | — | — | |
| SCHEMBL56911 | 0.77 | — | — | |
| SCHEMBL438190 | 0.77 | — | — | |
| SCHEMBL26740915 | 0.77 | — | — |
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-0027209-B1 | N,N-DIMETHYL-N'-ISOBUTYL-N'-BETA-HYDROXYETHYL 1,3-PROPYLENE DIAMINE, AND PROCESS FOR ITS PREPARATION | Ruhrchemie Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | disclosed |