Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.35 |
| ▸ | DPP4 | P27487 | 4/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | GRB2 | P62993 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 4/20 | 0.32 |
| ▸ | GABRD | O14764 | 4/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14737598 | 0.90 | ALDH1A1 (0.37) | SLC7A5ALDH1A1MAPTPTGS1TSHR | |
| Trifluoroacetic Acid SCHEMBL7601287 | 0.90 | ALDH1A1 (0.37) | SLC7A5ALDH1A1MAPTPTGS1TSHR | |
| Trifluoroacetic Acid SCHEMBL3416090 | 0.86 | SLC7A5 (0.41) | SLC7A5ALDH1A1MAPTPTGS1TSHR | |
| Trifluoroacetic Acid SCHEMBL1833665 | 0.83 | TP53 (0.40) | SLC7A5ALDH1A1MAPTPTGS1TSHR | |
| Trifluoroacetic Acid SCHEMBL7439665 | 0.81 | SLC7A5 (0.43) | SLC7A5ALDH1A1MAPTPTGS1DPP7 | |
| Trifluoroacetic Acid SCHEMBL6104013 | 0.81 | SLC7A5 (0.43) | SLC7A5ALDH1A1MAPTPTGS1DPP7 | |
| Trifluoroacetic Acid SCHEMBL29441736 | 0.81 | SLC7A5 (0.43) | SLC7A5ALDH1A1MAPTPTGS1DPP7 | |
| Trifluoroacetic Acid SCHEMBL20854191 | 0.80 | ALDH1A1 (0.35) | SLC7A5ALDH1A1TSHRDPP7DPP4 | |
| Valine SCHEMBL1761381 | 0.80 | SLC7A5 (0.71) | SLC7A5ALDH1A1MAPTPTGS1DPP7 | |
| Valine SCHEMBL7434920 | 0.80 | SLC7A5 (0.71) | SLC7A5ALDH1A1MAPTPTGS1DPP7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |