Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KCNQ3 | O43525 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10588535 | 0.80 | HDAC1 (0.50) | GSK3BALDH1A1HIF1AMAPK1TRPA1 | |
| SCHEMBL691592 | 0.80 | GSK3B (0.52) | GSK3BNAPRTJUNNFKB1NFKB2 | |
| SCHEMBL2693391 | 0.80 | MAPT (0.39) | MAPTHPGDNAPRTJUNNFKB1 | |
| SCHEMBL4899048 | 0.77 | NAPRT (0.62) | GSK3BALDH1A1HIF1AMAPK1TRPA1 | |
| Hydrochloric Acid SCHEMBL4894083 | 0.75 | NAPRT (0.60) | GSK3BALDH1A1HIF1AMAPK1TRPA1 | |
| SCHEMBL6133961 | 0.75 | GSK3B (0.48) | GSK3BALDH1A1HIF1AMAPK1TRPA1 | |
| SCHEMBL15568630 | 0.74 | HCAR2 (0.52) | GSK3BALDH1A1HIF1AMAPK1TRPA1 | |
| SCHEMBL6987829 | 0.73 | NAPRT (0.46) | NAPRTJUNNFKB1NFKB2RELA | |
| SCHEMBL63857 | 0.73 | NAPRT (0.58) | ALDH1A1MAPTHPGDCYP1A2CYP2C19 | |
| SCHEMBL18355568 | 0.72 | GSK3B (0.41) | GSK3BALDH1A1HIF1AMAPK1TRPA1 |
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-2010127152-A2 | COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS | IRM LLC (BM) | 2010-11-04 | — | — | WO | disclosed |