Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 18/20 | 0.75 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | SLC16A7 | O60669 | 1/20 | 0.50 |
| ▸ | SLC16A8 | O95907 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30182143 | 0.94 | SLC16A3 (0.66) | SLC16A3OPRD1HTR6SLC6A3ALDH1A1 | |
| SCHEMBL30182413 | 0.91 | SLC16A3 (0.76) | SLC16A3SLC16A7SLC16A8HTR5AALDH1A1 | |
| SCHEMBL30182228 | 0.90 | SLC16A3 (0.68) | SLC16A3ALDH1A1 | |
| SCHEMBL30181733 | 0.90 | SLC16A3 (0.62) | SLC16A3OPRD1HTR6SLC6A3POLB | |
| SCHEMBL22134893 | 0.90 | SLC16A3 (0.79) | SLC16A3OPRD1HTR6SLC6A3SLC16A7 | |
| SCHEMBL30182192 | 0.90 | SLC16A3 (0.69) | SLC16A3OPRD1HTR6SLC6A3SLC16A7 | |
| SCHEMBL30182221 | 0.89 | SLC16A3 (0.61) | SLC16A3OPRD1HTR6SLC6A3SLC16A7 | |
| SCHEMBL30182285 | 0.89 | SLC16A3 (0.61) | SLC16A3SLC16A7SLC16A8HTR5AALDH1A1 | |
| SCHEMBL30182004 | 0.89 | SLC16A3 (0.61) | SLC16A3SLC16A7SLC16A8HTR5AALDH1A1 | |
| SCHEMBL30181854 | 0.89 | SLC16A3 (0.72) | SLC16A3OPRD1HTR6SLC6A3SLC16A7 |
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-3898588-B1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-01-11 | — | — | EP | claimed |