Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 9/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16207787 | 1.00 | S1PR3 (0.42) | S1PR3S1PR1NR3C1CYP2C19CYP1A2 | |
| SCHEMBL16760789 | 0.90 | JAK3 (0.43) | S1PR3S1PR1HPGDJAK2JAK3 | |
| SCHEMBL16207774 | 0.90 | JAK3 (0.43) | S1PR3S1PR1HPGDJAK2JAK3 | |
| SCHEMBL16207730 | 0.89 | CYP1A2 (0.39) | S1PR3S1PR1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL16207729 | 0.89 | CYP1A2 (0.39) | S1PR3S1PR1CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL15081406 | 0.88 | TRPA1 (0.42) | S1PR3S1PR1NR3C1KDM4EALDH1A1 | |
| SCHEMBL16165007 | 0.87 | S1PR3 (0.41) | S1PR3S1PR1JAK2JAK3LIMK1 | |
| SCHEMBL16165005 | 0.87 | S1PR3 (0.41) | S1PR3S1PR1JAK2JAK3LIMK1 | |
| SCHEMBL16207782 | 0.85 | KHK (0.37) | S1PR3S1PR1CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL16165118 | 0.85 | MEN1 (0.40) | S1PR3S1PR1NR3C1CYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9051310-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2015-06-09 | — | — | US | disclosed |