Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 2/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16760787 | 1.00 | KHK (0.36) | KHKPOLBALDH1A1L3MBTL1HPGD | |
| SCHEMBL16760782 | 0.94 | KHK (0.37) | KHKPOLBALDH1A1L3MBTL1HPGD | |
| SCHEMBL16760781 | 0.94 | KHK (0.37) | KHKPOLBALDH1A1L3MBTL1HPGD | |
| SCHEMBL16760788 | 0.90 | KHK (0.39) | KHKPOLBALDH1A1L3MBTL1HPGD | |
| SCHEMBL16164327 | 0.87 | KHK (0.35) | KHKALDH1A1L3MBTL1KDM4ETDP1 | |
| SCHEMBL16164326 | 0.87 | KHK (0.35) | KHKALDH1A1L3MBTL1KDM4ETDP1 | |
| SCHEMBL14923589 | 0.87 | TRPA1 (0.41) | CTSKJAK3 | |
| SCHEMBL16165734 | 0.87 | KHK (0.38) | KHKALDH1A1L3MBTL1HPGDKDM4E | |
| SCHEMBL16165736 | 0.87 | KHK (0.38) | KHKALDH1A1L3MBTL1HPGDKDM4E | |
| SCHEMBL16164777 | 0.85 | KHK (0.35) | KHKALDH1A1L3MBTL1HPGDKDM4E |
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 |