Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18746076 | 0.83 | CA12 (0.48) | TSHRCYP3A4ALDH1A1ALOX15RECQL | |
| SCHEMBL11228437 | 0.80 | HSD17B10 (0.42) | TSHRCYP3A4ALDH1A1HSD17B10MAPK1 | |
| SCHEMBL23407747 | 0.78 | THRB (0.37) | TSHRCYP3A4ALDH1A1ALOX15RECQL | |
| SCHEMBL26204831 | 0.77 | TSHR (0.48) | TSHRCYP3A4ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8105141 | 0.75 | SLC2A1 (0.41) | TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL7937183 | 0.75 | CYP3A4 (0.43) | CYP3A4ALDH1A1HPGDGAASMN1; SMN2 | |
| SCHEMBL25612801 | 0.75 | MAPT (0.41) | CYP3A4ALDH1A1ALOX15HPGDGAA | |
| SCHEMBL11119923 | 0.74 | TSHR (0.50) | TSHRCYP3A4ALDH1A1ALOX15RECQL | |
| SCHEMBL7943214 | 0.73 | CYP3A4 (0.42) | CYP3A4ALDH1A1HPGDGAASMN1; SMN2 | |
| SCHEMBL3928731 | 0.73 | SLC2A1 (0.40) | TSHRALDH1A1SMN1; SMN2 |
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 |