Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11478805 | 1.00 | MAPK1 (0.46) | MAPK1RAB9AHSD17B10NPC1TSHR | |
| SCHEMBL21501676 | 0.79 | MAPT (0.37) | MAPK1RAB9AHSD17B10TSHRKDM4E | |
| SCHEMBL12591113 | 0.73 | MAPK1 (0.39) | MAPK1RAB9AHSD17B10NPC1TSHR | |
| SCHEMBL12591117 | 0.73 | HSD17B10 (0.39) | MAPK1RAB9AHSD17B10NPC1TSHR | |
| SCHEMBL10175722 | 0.73 | MAPK1 (0.39) | MAPK1RAB9AHSD17B10NPC1TSHR | |
| SCHEMBL11620938 | 0.72 | — | — | |
| SCHEMBL4331620 | 0.72 | — | — | |
| SCHEMBL21078445 | 0.72 | — | — | |
| SCHEMBL4331615 | 0.72 | — | — | |
| SCHEMBL11620933 | 0.72 | — | — |
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-4200757-A | REACTING KETONITRILE WITH A MERCAPTO OR HYDROXY COMPOUND TO FORM AN IMINIUM SALT, CYCLIZATION | SHIONOGI & CO., LTD. (JP) | 1980-04-29 | — | — | US | disclosed |