Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5821323 | 0.82 | ALDH1A1 (0.52) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL10626127 | 0.82 | ALDH1A1 (0.52) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL28686366 | 0.81 | SMN1; SMN2 (0.56) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL11554391 | 0.81 | NPC1 (0.49) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL28146646 | 0.80 | RIPK1 (0.49) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL14714843 | 0.80 | NPC1 (0.51) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL10698414 | 0.79 | CYP2C19 (0.51) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL16989810 | 0.78 | RIPK1 (0.46) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL3244922 | 0.77 | ALDH1A1 (0.46) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL3244918 | 0.77 | ALDH1A1 (0.46) | NPC1RAB9ACA12CA9ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595960-A1 | SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE | Spinifex Pharmaceuticals Pty Ltd (AU) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010843-A1 | SALT AND SOLVATES OF A TETRAHYDROISOQUINOLINE DERIVATIVE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2012-01-26 | — | — | WO | disclosed |
| EP-2091917-A1 | ION CHANNEL MODULATORS | Wyeth a Corporation of the State of Delaware (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008073934-A1 | ION CHANNEL MODULATORS | WYETH (US) | 2008-06-19 | — | — | WO | disclosed |