Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2711461 | 0.83 | CYP3A4 (0.52) | CYP3A4TSHRATMTDP1 | |
| Phosphonic Acid SCHEMBL28135211 | 0.83 | — | — | |
| SCHEMBL28210169 | 0.82 | CYP3A4 (0.50) | CYP3A4TSHRATMTDP1 | |
| SCHEMBL28533413 | 0.82 | CYP3A4 (0.50) | CYP3A4TSHRATMTDP1 | |
| SCHEMBL28413577 | 0.82 | CYP3A4 (0.50) | CYP3A4TSHRATMTDP1 | |
| SCHEMBL8437140 | 0.80 | PRSS1 (0.48) | CYP3A4TSHRATMTDP1 | |
| Octane SCHEMBL3976334 | 0.80 | CYP3A4 (0.49) | CYP3A4TSHRATMTDP1 | |
| SCHEMBL1229358 | 0.79 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL17523025 | 0.78 | — | — | |
| SCHEMBL8434065 | 0.78 | — | — |
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 |