Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11027320 | 0.82 | PARP1 (0.41) | ALDH1A1CYP3A4MAPTPARP1KMT2A | |
| SCHEMBL13167579 | 0.79 | ALDH1A1 (0.49) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL13185549 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL12260114 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL17014495 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL7958551 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL7565934 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL6582087 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL8139004 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 | |
| SCHEMBL7968392 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAPTSIGMAR1SRD5A1 |
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-4590274-A | Antihypertensive 1-[bis-(substituted phenyl)methyl]-4[2-(1,2,3,4-tetrahydro-substituted naphthalen-1-ylidene)ethyl]piperazines | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-05-20 | — | — | US | disclosed |