Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.68 |
| ▸ | CA2 | P00918 | 8/20 | 0.68 |
| ▸ | CA9 | Q16790 | 8/20 | 0.68 |
| ▸ | CA12 | O43570 | 4/20 | 0.68 |
| ▸ | CA4 | P22748 | 4/20 | 0.68 |
| ▸ | CA6 | P23280 | 4/20 | 0.68 |
| ▸ | CA5A | P35218 | 4/20 | 0.68 |
| ▸ | CA7 | P43166 | 4/20 | 0.68 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.68 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL435704 | 0.83 | CA1 (0.73) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8496857 | 0.81 | CA1 (0.70) | CA1CA2CA9CA12CA4 | |
| SCHEMBL29906360 | 0.81 | CA1 (1.00) | CA1CA2CA9CA12CA4 | |
| SCHEMBL248783 | 0.81 | CA1 (1.00) | CA1CA2CA9CA12CA4 | |
| SCHEMBL5738131 | 0.79 | CA1 (0.68) | CA1CA2CA9CA12CA4 | |
| SCHEMBL31208448 | 0.79 | CA1 (0.68) | CA1CA2CA9CA12CA4 | |
| SCHEMBL879153 | 0.79 | CA1 (0.68) | CA1CA2CA9CA12CA4 | |
| SCHEMBL303829 | 0.79 | CA1 (0.68) | CA1CA2CA9CA12CA4 | |
| SCHEMBL9806947 | 0.76 | CA1 (0.63) | CA1CA2CA9CA12CA4 | |
| SCHEMBL7185475 | 0.76 | ALDH1A1 (0.69) | CA1CA2CA9CA12CA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1789039-B1 | S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | ARDEA BIOSCIENCES INC (US) | 2012-01-11 | — | — | EP | disclosed |