Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL8333113 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| SCHEMBL6665960 | 0.93 | — | — | |
| SCHEMBL606320 | 0.93 | — | — | |
| SCHEMBL17937883 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| SCHEMBL888528 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Ammonia Solution, Strong SCHEMBL9722924 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Octane SCHEMBL8328270 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Heptane SCHEMBL8332734 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Dimethylamine SCHEMBL9007041 | 0.86 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4CA2 | |
| Alcohol SCHEMBL8828863 | 0.84 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRCYP3A4CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0707588-A4 | IMPROVED ALKYLLITHIUM PROCESS | FMC CORP (US) | 1999-06-09 | — | — | EP | disclosed |
| EP-0707588-A1 | IMPROVED ALKYLLITHIUM PROCESS | FMC CORPORATION (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001982-A1 | IMPROVED ALKYLLITHIUM PROCESS | FMC CORPORATION (US) | 1995-01-19 | — | — | WO | disclosed |
| US-5332533-A | Reacting alkyl halide with lithium metal particles in a liquid hydrocarbon solvent | FMC CORPORATION (US) | 1994-07-26 | — | — | US | disclosed |