Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 7/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.37 |
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) | SRD5A1NOTUM | |
| SCHEMBL7372067 | 0.83 | NOTUM (0.49) | SRD5A1NOTUM | |
| SCHEMBL16587000 | 0.83 | NOTUM (0.49) | SRD5A1NOTUM | |
| SCHEMBL7378144 | 0.83 | NOTUM (0.49) | SRD5A1NOTUM | |
| SCHEMBL7366736 | 0.82 | HTR2C (0.49) | SRD5A1NOTUM | |
| SCHEMBL8742792 | 0.82 | HTR2C (0.49) | SRD5A1NOTUM | |
| SCHEMBL7342239 | 0.82 | HTR2C (0.49) | SRD5A1NOTUM | |
| SCHEMBL7310227 | 0.79 | NOTUM (0.71) | SRD5A1NOTUM | |
| SCHEMBL16586191 | 0.78 | NOTUM (0.42) | SRD5A1NOTUM | |
| SCHEMBL19186850 | 0.78 | NOTUM (0.45) | SRD5A1NOTUMPOLBAADAT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015040424-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AND THEIR USE AS PYRUVATE DEHYDROGENASE KINASE INHIBITORS | VERNALIS (R&D) LIMITED (GB) | 2015-03-26 | — | — | WO | disclosed |