Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.49 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 2/20 | 0.30 |
| ▸ | PRNP | P04156 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7340995 | 0.83 | NOTUM (0.49) | NOTUMSRD5A1OPRM1OPRK1 | |
| SCHEMBL16589999 | 0.83 | SRD5A1 (0.51) | NOTUMSRD5A1 | |
| SCHEMBL7378144 | 0.83 | NOTUM (0.49) | NOTUMSRD5A1OPRM1OPRK1 | |
| SCHEMBL7372067 | 0.83 | NOTUM (0.49) | NOTUMSRD5A1OPRM1OPRK1 | |
| SCHEMBL7342239 | 0.80 | HTR2C (0.49) | NOTUMSRD5A1HTR6PDE4B | |
| SCHEMBL8742792 | 0.80 | HTR2C (0.49) | NOTUMSRD5A1HTR6PDE4B | |
| SCHEMBL7366736 | 0.80 | HTR2C (0.49) | NOTUMSRD5A1HTR6PDE4B | |
| SCHEMBL7310227 | 0.79 | NOTUM (0.71) | NOTUMSRD5A1HTR6OPRM1OPRK1 | |
| SCHEMBL16586191 | 0.76 | NOTUM (0.42) | NOTUMSRD5A1 | |
| SCHEMBL16586290 | 0.72 | PDK1 (0.48) | NOTUM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |