Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7365257 | 0.85 | SPHK1 (0.50) | NPC1RAB9ASPHK1SPHK2MAOA | |
| SCHEMBL7404529 | 0.84 | NPC1 (0.43) | NPC1RAB9ASPHK1SPHK2PARP10 | |
| SCHEMBL7403639 | 0.83 | NPC1 (0.46) | NPC1RAB9ASPHK1SPHK2PARP10 | |
| SCHEMBL7365784 | 0.83 | ADAM17 (0.52) | NPC1RAB9ASPHK1SPHK2MAOA | |
| SCHEMBL7371153 | 0.73 | SPHK1 (0.57) | NPC1RAB9ASPHK1SPHK2MAOA | |
| SCHEMBL7364838 | 0.72 | SPHK1 (0.54) | NPC1RAB9ASPHK1SPHK2MAOA | |
| SCHEMBL7341840 | 0.72 | SPHK1 (0.54) | NPC1RAB9ASPHK1SPHK2MAOA | |
| SCHEMBL3137610 | 0.72 | CNR2 (0.39) | SPHK1SPHK2SMN1; SMN2GAA | |
| SCHEMBL7366397 | 0.71 | SPHK1 (0.58) | NPC1RAB9ASPHK1SPHK2MAOA | |
| SCHEMBL7405693 | 0.71 | MAOB (0.54) | NPC1RAB9ASPHK1SPHK2MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | claimed |
| US-6117841-A | USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY | WARNER-LAMBERT COMPANY (US) | 2000-09-12 | — | — | US | disclosed |
| WO-1998054123-A1 | SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1998-12-03 | — | — | WO | disclosed |