Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 4/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | IKBKG | Q9Y6K9 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL874686 | 0.91 | CYP3A4 (0.42) | ATRNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL873657 | 0.91 | CYP3A4 (0.41) | ATRNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL873820 | 0.90 | ATR (0.46) | ATRNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL875500 | 0.89 | ATR (0.41) | ATRNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL874516 | 0.83 | NAMPT (0.39) | NAMPTCYP3A4CYP2D6CYP2C9KCNH2 | |
| SCHEMBL877180 | 0.83 | NAMPT (0.43) | ATRNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL874151 | 0.83 | CYP3A4 (0.40) | ATRNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL874058 | 0.82 | NAMPT (0.42) | ATRNAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL874015 | 0.81 | DRD2 (0.41) | NAMPTKCNH2DRD2DRD3CHRNA7 | |
| SCHEMBL874837 | 0.79 | KMT2A (0.37) | NAMPTCYP3A4CYP2D6CYP2C9KCNH2 |
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-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 |