Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11052936 | 0.92 | ACE (0.42) | ACEOPRL1CHRM2CHRM4CHRM1 | |
| SCHEMBL11051574 | 0.83 | OPRL1 (0.40) | ACEOPRL1CHRM2CHRM4CHRM1 | |
| SCHEMBL11050571 | 0.81 | KMT2A (0.45) | ACEOPRL1KMT2A | |
| SCHEMBL11044573 | 0.81 | KMT2A (0.45) | ACEOPRL1KMT2A | |
| SCHEMBL11047878 | 0.81 | KMT2A (0.45) | ACEOPRL1KMT2A | |
| SCHEMBL11050170 | 0.78 | ACE (0.51) | ACE | |
| SCHEMBL11048719 | 0.77 | ACE (0.67) | ACE | |
| SCHEMBL11047768 | 0.76 | MTNR1A (0.38) | MEN1KMT2A | |
| SCHEMBL10923703 | 0.72 | OPRL1 (0.40) | ACEOPRL1 | |
| SCHEMBL11389986 | 0.71 | ACE (0.44) | ACEPOLBKDM4EMEN1KMT2A |
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-4461896-A | 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids | NORWICH EATON PHARMACEUTICALS, INC. (US) | 1984-07-24 | — | — | US | disclosed |