Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10652745 | 0.85 | CYP3A4 (0.49) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL10649961 | 0.85 | CYP3A4 (0.53) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL9713676 | 0.82 | CYP3A4 (0.59) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL10650582 | 0.81 | CYP3A4 (0.64) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL9713860 | 0.81 | CYP3A4 (0.68) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL10649211 | 0.78 | CYP3A4 (0.64) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL10648852 | 0.78 | CYP3A4 (0.64) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL10652917 | 0.78 | CYP3A4 (0.48) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL9714108 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL234207 | 0.77 | — | — |
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-4748226-A | Method of preparation of novel 2-(alkoxymethyl)-pentane-1,5-diisocyanates, 2-(alkoxymethyl)-pentane-1,5-diurethanes, and 2-(alkoxymethyl)-pentane-1,5-dicarbamic acid chlorides and their uses | BASF AKTIENGESELLSCHAFT (DE) | 1988-05-31 | — | — | US | disclosed |