Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | AHR | P35869 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL799541 | 0.80 | TSHR (0.61) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL11665761 | 0.78 | TSHR (0.65) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL10347814 | 0.78 | TSHR (0.58) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL10192309 | 0.76 | TSHR (0.56) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL11790576 | 0.76 | TSHR (0.56) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL3075392 | 0.76 | TSHR (0.56) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL10600692 | 0.76 | TSHR (0.56) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL2796185 | 0.76 | TSHR (0.56) | TSHRAHRTP53CASRSSTR4 | |
| Hydrochloric Acid SCHEMBL11541806 | 0.74 | TSHR (0.54) | TSHRAHRTP53CASRSSTR4 | |
| SCHEMBL5384985 | 0.74 | TSHR (0.75) | TSHRAHRTP53CYP3A4HSD17B10 |
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-2008077557-A1 | 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS | SCHWARZ PHARMA AG (DE) | 2008-07-03 | — | — | WO | disclosed |