Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.35 |
| ▸ | STAT6 | P42226 | 1/20 | 0.35 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.35 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23735795 | 0.77 | KDM4E (0.37) | ELANEMAPK1HPGDHTTGLA | |
| SCHEMBL24992571 | 0.77 | MAPK1 (0.39) | MAPK1LMNAHPGDHTTERCC1 | |
| SCHEMBL12157512 | 0.77 | CHEK1 (0.33) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL15081315 | 0.75 | ALDH1A1 (0.37) | MEN1KMT2ANPSR1CHEK1AURKA | |
| SCHEMBL31162642 | 0.75 | ALDH1A1 (0.37) | MEN1KMT2ANPSR1CHEK1AURKA | |
| SCHEMBL20692084 | 0.72 | MAPK1 (0.34) | MAPK1LMNAHPGDHTTUSP7 | |
| SCHEMBL30244063 | 0.72 | MAPK1 (0.34) | MAPK1LMNAHPGDHTTUSP7 | |
| SCHEMBL31162598 | 0.72 | CHEK1 (0.31) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL20757767 | 0.71 | TRPC5 (0.42) | ELANEMAPK1LMNAHPGDHTT | |
| SCHEMBL31162532 | 0.71 | MAPT (0.36) | MEN1KMT2APOLBCYP1A2CSNK1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2799431-B1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORP (JP) | 2018-01-24 | — | — | EP | disclosed |