Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 5/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.32 |
| ▸ | LPL | P06858 | 4/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 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 | |
|---|---|---|---|---|
| SCHEMBL16589999 | 0.78 | SRD5A1 (0.51) | NOTUMSRD5A1 | |
| SCHEMBL7340995 | 0.76 | NOTUM (0.49) | NOTUMSRD5A1 | |
| SCHEMBL16587000 | 0.76 | NOTUM (0.49) | NOTUMSRD5A1 | |
| SCHEMBL7372067 | 0.76 | NOTUM (0.49) | NOTUMSRD5A1 | |
| SCHEMBL7342239 | 0.75 | HTR2C (0.49) | NOTUMSRD5A1 | |
| SCHEMBL7366736 | 0.75 | HTR2C (0.49) | NOTUMSRD5A1 | |
| SCHEMBL28435683 | 0.72 | ROCK1 (0.36) | BACE1ROCK1IDO1TDO2LPL | |
| SCHEMBL7310227 | 0.72 | NOTUM (0.71) | NOTUMSRD5A1 | |
| SCHEMBL14779871 | 0.72 | CYP11B2 (0.46) | BACE1ROCK1IDO1TDO2LPL | |
| SCHEMBL29429774 | 0.72 | CYP11B2 (0.46) | BACE1ROCK1IDO1TDO2LPL |
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 |