Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.37 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 3/20 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28501779 | 0.94 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL329554 | 0.92 | CYP3A4 (0.55) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL28689341 | 0.90 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL28822364 | 0.90 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL30249980 | 0.90 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL28532180 | 0.90 | LMNA (0.43) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL31416102 | 0.90 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL30250357 | 0.90 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL28031953 | 0.90 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 | |
| SCHEMBL26910372 | 0.90 | CYP3A4 (0.53) | CYP3A4L3MBTL1PRSS1PRSS2PRSS3 |
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-5922654-A | TWO OR MORE ORGANOMETALLIC COMPOUNDS WHERE THE METAL IS A TRANSITION METAL OR SEMIMETAL, OR ZINC; FOR EXAMPLE, ZINC DIALKYLDITHIOPHOSPHATE, OR NICKEL DIALKYLDITHIOCARBAMATE; HIGHER LOAD BEARING PROPERTIES, HIGH TEMPERATURE PERFORMANCE | NSK LTD. (JP) | 1999-07-13 | — | — | US | disclosed |