Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.36 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.36 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL874117 | 0.80 | RAB9A (0.48) | NPC1ALDH1A1GAAKDM4ERAB9A | |
| SCHEMBL874231 | 0.77 | CHRNA7 (0.43) | NPC1ALDH1A1GAAKDM4ERAB9A | |
| SCHEMBL874429 | 0.75 | CDC7 (0.42) | NPC1ALDH1A1KDM4ECHRM4GRM1 | |
| SCHEMBL882714 | 0.74 | MAPT (0.57) | ALDH1A1KDM4EMAPT | |
| SCHEMBL874665 | 0.73 | GAA (0.52) | NPC1ALDH1A1GAAKDM4ERAB9A | |
| SCHEMBL875382 | 0.71 | NPC1 (0.40) | NPC1ALDH1A1KDM4ECHRM4RAB9A | |
| SCHEMBL24303241 | 0.71 | NPC1 (0.52) | NPC1ALDH1A1GAAHDAC4KDM4E | |
| SCHEMBL873941 | 0.70 | RAB9A (0.48) | NPC1ALDH1A1GAAKDM4ERAB9A | |
| SCHEMBL3402398 | 0.68 | NPC1 (0.62) | NPC1ALDH1A1GAAHDAC4CHRM4 | |
| SCHEMBL3633642 | 0.66 | RAB9A (0.72) | NPC1HDAC4RAB9AMAPTMAPK11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |