Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL2133636 | 0.93 | RAB9A (0.56) | SMN1; SMN2NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL2136526 | 0.86 | EPHX2 (0.52) | SMN1; SMN2NPC1RAB9AMAPK14MEN1 | |
| SCHEMBL2137668 | 0.86 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL2137173 | 0.85 | EPHX2 (0.54) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17240523 | 0.82 | RAB9A (0.46) | SMN1; SMN2NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL21921103 | 0.81 | NPC1 (0.45) | SMN1; SMN2NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL21921172 | 0.81 | NPC1 (0.47) | SMN1; SMN2NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL2137785 | 0.81 | HTT (0.47) | SMN1; SMN2NPC1RAB9AMAPK14KMT2A | |
| SCHEMBL2136407 | 0.77 | NAMPT (0.51) | MAPK14NAMPT | |
| SCHEMBL2143239 | 0.77 | ALDH1A1 (0.53) | SMN1; SMN2NPC1RAB9AHPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3632899-A1 | ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS | RaQualia Pharma Inc. (JP) | 2020-04-08 | — | — | EP | disclosed |