Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6534892 | 0.80 | TSHR (0.46) | CYSLTR2CYSLTR1ALDH1A1TSHRMAPT | |
| SCHEMBL7998182 | 0.80 | TSHR (0.38) | TSHRGABRA1GABRB2 | |
| SCHEMBL7998140 | 0.79 | PTGS2 (0.51) | CYSLTR2CYSLTR1ALDH1A1CYP1A2TSHR | |
| SCHEMBL7984599 | 0.78 | TSHR (0.37) | TSHRGABRA1GABRB2 | |
| SCHEMBL6534841 | 0.78 | TSHR (0.44) | CYSLTR2CYSLTR1ALDH1A1TSHRMAPT | |
| SCHEMBL10655836 | 0.77 | PPARG (0.40) | ALDH1A1SMN1; SMN2TSHRMAPTPPARA | |
| SCHEMBL6535240 | 0.77 | TSHR (0.43) | CYSLTR2CYSLTR1ALDH1A1TSHRMAPT | |
| SCHEMBL6535285 | 0.77 | TSHR (0.43) | CYSLTR2CYSLTR1ALDH1A1TSHRMAPT | |
| SCHEMBL10338659 | 0.77 | CYSLTR2 (0.65) | CYSLTR2CYSLTR1ALDH1A1HDAC11TSHR | |
| SCHEMBL10378646 | 0.76 | TSHR (0.55) | CYSLTR2CYSLTR1ALDH1A1HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |