Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL8332734 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| SCHEMBL31094674 | 0.95 | LMNA (0.52) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| SCHEMBL606320 | 0.95 | — | — | |
| SCHEMBL6665960 | 0.95 | — | — | |
| SCHEMBL28996018 | 0.93 | TSHR (0.56) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| SCHEMBL17937883 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| Ammonia Solution, Strong SCHEMBL9722924 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| SCHEMBL888528 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| Dimethylamine SCHEMBL9007041 | 0.88 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| Cyclopentane SCHEMBL8333113 | 0.88 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP3A4LMNA |
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 |