Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 4/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | DRD4 | P21917 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL874741 | 0.85 | KMT2A (0.48) | CDC7DBF4DRD4ALDH1A1RAB9A | |
| SCHEMBL874757 | 0.79 | HDAC1 (0.44) | — | |
| SCHEMBL874730 | 0.75 | NPC1 (0.39) | ALDH1A1KDM4ECHRM4GRM1MAPK14 | |
| SCHEMBL874800 | 0.66 | RAB9A (0.62) | CDC7DBF4ALDH1A1KDM4EHTT | |
| SCHEMBL3633642 | 0.66 | RAB9A (0.72) | MAPK14NPC1RAB9AMAPTMAPK11 | |
| SCHEMBL18458070 | 0.65 | IDH2 (0.53) | DRD2DRD4ALDH1A1LMNAMAPK14 | |
| SCHEMBL28750952 | 0.65 | GSK3B (0.51) | CDC7DBF4ALDH1A1KDM4ELMNA | |
| SCHEMBL9911636 | 0.64 | MLLT1 (0.63) | ALDH1A1LMNANPC1RAB9ATP53 | |
| SCHEMBL15296751 | 0.64 | HDAC1 (0.58) | DRD2ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL3442327 | 0.63 | RAB9A (0.62) | LMNAMAPK14NPC1RAB9AMAPT |
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-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 |