Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TLR2 | O60603 | 2/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL9713860 | 0.90 | CYP3A4 (0.68) | CYP3A4ALDH1A1TDP1HTTMMP9 | |
| SCHEMBL10648852 | 0.87 | CYP3A4 (0.64) | CYP3A4ALDH1A1TDP1HTTUSP2 | |
| SCHEMBL10650582 | 0.87 | CYP3A4 (0.64) | CYP3A4ALDH1A1TDP1HTTMMP9 | |
| SCHEMBL10649211 | 0.87 | CYP3A4 (0.64) | CYP3A4ALDH1A1TDP1HTTUSP2 | |
| SCHEMBL10649961 | 0.86 | CYP3A4 (0.53) | CYP3A4ALDH1A1TDP1HTT | |
| Hydrochloric Acid SCHEMBL10798583 | 0.85 | CYP3A4 (0.62) | CYP3A4ALDH1A1TDP1HTTUSP2 | |
| SCHEMBL10652917 | 0.83 | CYP3A4 (0.48) | CYP3A4ALDH1A1TDP1 | |
| SCHEMBL10654027 | 0.82 | CYP3A4 (0.49) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL10652745 | 0.82 | CYP3A4 (0.49) | CYP3A4ALDH1A1TDP1HTT | |
| SCHEMBL10649194 | 0.81 | CYP3A4 (0.71) | CYP3A4ALDH1A1TDP1HTTHSD17B10 |
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-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 |
| EP-0261605-A1 | 2-Substituted 1,5-diaminopentanes | BASF Aktiengesellschaft (DE) | 1988-03-30 | — | — | EP | disclosed |