Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | KIT | P10721 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | RORA | P35398 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | RORB | Q92753 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8274518 | 0.81 | HDAC3 (0.60) | — | |
| SCHEMBL3556136 | 0.78 | RORA (0.60) | ALDH1A1TSHRCA12CA1CA2 | |
| SCHEMBL25072776 | 0.75 | GAA (0.50) | ALDH1A1TSHRTDP1GFERCA12 | |
| SCHEMBL25734174 | 0.72 | TDP1 (0.51) | ALDH1A1TSHRKITTDP1GFER | |
| SCHEMBL5323420 | 0.72 | GAA (0.58) | ALDH1A1TSHRTDP1GFERCA12 | |
| SCHEMBL5329438 | 0.72 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1GFERCA12 | |
| SCHEMBL3995457 | 0.71 | TAAR1 (0.56) | ALDH1A1TSHRKITMEN1KMT2A | |
| SCHEMBL1030477 | 0.70 | GFER (0.83) | ALDH1A1TDP1GFERCA12CA1 | |
| SCHEMBL25734178 | 0.69 | ALDH1A1 (0.40) | ALDH1A1TSHRTDP1GFERHTT | |
| SCHEMBL2959779 | 0.69 | RORA (0.69) | RORARORCRORBGAAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |