Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17430657 | 0.78 | LMNA (0.38) | ALDH1A1CYP3A4 | |
| SCHEMBL9714108 | 0.77 | CYP3A4 (0.42) | ALDH1A1TDP1CYP3A4 | |
| SCHEMBL20758281 | 0.76 | TRPV1 (0.30) | — | |
| SCHEMBL20757079 | 0.76 | TRPV1 (0.30) | — | |
| SCHEMBL10652917 | 0.74 | CYP3A4 (0.48) | ALDH1A1TDP1CYP3A4 | |
| SCHEMBL10654027 | 0.74 | CYP3A4 (0.49) | ALDH1A1TDP1CYP3A4 | |
| SCHEMBL713294 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4 | |
| SCHEMBL5821217 | 0.72 | — | — | |
| SCHEMBL9714065 | 0.72 | CYP3A4 (0.47) | ALDH1A1TDP1CYP3A4 | |
| SCHEMBL10655974 | 0.71 | CYP3A4 (0.46) | ALDH1A1TDP1CYP3A4 |
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-0261604-B1 | 2-(ALKOXYMETHYL)-PENTANE-1,5-DIISOCYANATES, -DIURETHANES AND -DICARBAMIC-ACID CHLORIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE | BASF Aktiengesellschaft (DE) | 1992-01-22 | — | — | EP | disclosed |
| 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 |
| EP-0261605-A1 | 2-Substituted 1,5-diaminopentanes | BASF Aktiengesellschaft (DE) | 1988-03-30 | — | — | EP | disclosed |
| EP-0261604-A1 | 2-(Alkoxymethyl)-pentane-1,5-diisocyanates, -diurethanes and -dicarbamic-acid chlorides, processes for their preparation and their use | BASF Aktiengesellschaft (DE) | 1988-03-30 | — | — | EP | disclosed |