Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 4/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.43 |
| ▸ | IKBKG | Q9Y6K9 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 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 | 0.90 | CYP3A4 (0.42) | ATRIKBKBCHUKIKBKGCHRNA7 | |
| SCHEMBL874515 | 0.90 | ATR (0.43) | ATRIKBKBCHUKIKBKGCHRNA7 | |
| SCHEMBL875500 | 0.89 | ATR (0.41) | ATRIKBKBCHUKIKBKGCHRNA7 | |
| SCHEMBL873657 | 0.89 | CYP3A4 (0.41) | ATRIKBKBCHUKIKBKGCHRNA7 | |
| SCHEMBL874280 | 0.87 | BCHE (0.39) | CHRNA7NAMPTMEN1KMT2ANPSR1 | |
| SCHEMBL873584 | 0.85 | KMT2A (0.40) | NAMPTMEN1KMT2AJAK2NPSR1 | |
| SCHEMBL873821 | 0.83 | NAMPT (0.39) | CHRNA7NAMPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL874835 | 0.82 | MEN1 (0.43) | CHRNA7MEN1KMT2AJAK2NPSR1 | |
| SCHEMBL874151 | 0.81 | CYP3A4 (0.40) | ATRCHRNA7MCHR1NAMPTCYP3A4 | |
| SCHEMBL874058 | 0.81 | NAMPT (0.42) | ATRCHRNA7NAMPTCYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |