Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12548499 | 1.00 | JAK3 (0.37) | JAK3TSHRMAPTCA12CA1 | |
| SCHEMBL12549046 | 1.00 | JAK3 (0.37) | JAK3TSHRMAPTCA12CA1 | |
| SCHEMBL24042812 | 0.92 | MAPT (0.40) | TSHRMAPTCA12CA1CA2 | |
| SCHEMBL22256857 | 0.86 | TSHR (0.44) | TSHRMAPTCA12CA1CA2 | |
| SCHEMBL22256852 | 0.85 | TSHR (0.47) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL12548917 | 0.84 | TSHR (0.35) | TSHRMAPTCA12CA1CA2 | |
| SCHEMBL12548922 | 0.84 | TSHR (0.35) | TSHRMAPTCA12CA1CA2 | |
| SCHEMBL997091 | 0.84 | TSHR (0.38) | TSHRMAPTCA12CA1CA2 | |
| SCHEMBL9357964 | 0.83 | TSHR (0.49) | TSHRMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL5987601 | 0.80 | TSHR (0.41) | TSHRMAPTALDH1A1MEN1KMT2A |
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-2091925-B1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME | BOEHRINGER INGELHEIM INT (DE) | 2011-04-06 | — | — | EP | disclosed |