Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13325401 | 0.82 | BACE1 (0.50) | ALDH1A1CA14CA12CA1CA2 | |
| SCHEMBL13261755 | 0.82 | CYP3A4 (0.33) | ALDH1A1TDP1CYP3A4CASP1GAA | |
| SCHEMBL12881195 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TDP1CYP3A4GAAMAPT | |
| SCHEMBL14327172 | 0.82 | BACE1 (0.41) | ALDH1A1CA14CA12CA1CA2 | |
| SCHEMBL63371 | 0.73 | — | — | |
| SCHEMBL62693 | 0.73 | — | — | |
| SCHEMBL14088881 | 0.71 | HCAR1 (0.45) | ALDH1A1BACE1CYP3A4ALOX15HSD17B10 | |
| SCHEMBL20736714 | 0.71 | BACE1 (0.32) | BACE1 | |
| SCHEMBL28234290 | 0.71 | ALDH1A1 (0.55) | ALDH1A1TDP1THRBBACE1CYP3A4 | |
| SCHEMBL12174816 | 0.70 | ALDH1A1 (0.36) | ALDH1A1CA12CA1CA2CA9 |
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-2537880-A2 | CARBOSILANE DENDRIMERS AND THE USE THEREOF AS ANTIVIRAL AGENTS | Universidad De Alcalá De Henares (UAH) (ES) | 2012-12-26 | — | — | EP | disclosed |
| EP-2065369-A1 | UREA COMPOUND OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2009-06-03 | — | — | EP | disclosed |