Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL13801655 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL13801824 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL13801607 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL13801924 | 0.70 | ALDH1A1 (0.34) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL9863881 | 0.68 | HSD17B10 (0.63) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL30973162 | 0.67 | CYP3A4 (0.43) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL13801656 | 0.67 | ALDH1A1 (0.38) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL3400615 | 0.66 | ALDH1A1 (0.33) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL3427948 | 0.65 | ALDH1A1 (0.40) | ALDH1A1CYP3A4ALOX15TSHRALOX12 | |
| SCHEMBL3428204 | 0.65 | ALDH1A1 (0.33) | ALDH1A1CYP3A4ALOX15TSHRALOX12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2245123-B1 | METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS | CHEMTURA CORP (US) | 2017-07-19 | — | — | EP | disclosed |
| WO-2009076091-A2 | ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME | CHEMTURA CORPORATION (US) | 2009-06-18 | — | — | WO | disclosed |