Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17775914 | 0.89 | HTT (0.32) | HTT | |
| SCHEMBL11490070 | 0.71 | TSHR (0.31) | TSHRMAPK1HSD17B10TDP1 | |
| SCHEMBL11496767 | 0.69 | TSHR (0.39) | TSHRMAPK1HSD17B10TDP1 | |
| SCHEMBL11476779 | 0.68 | CHRNB2 (0.37) | — | |
| SCHEMBL14391118 | 0.67 | — | — | |
| SCHEMBL30103465 | 0.63 | CA2 (0.31) | — | |
| SCHEMBL11475296 | 0.62 | — | — | |
| SCHEMBL11481958 | 0.62 | — | — | |
| SCHEMBL11493165 | 0.61 | — | — | |
| SCHEMBL2738379 | 0.61 | — | — |
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-0011670-A2 | Cycloheptatriene derivatives and process for their preparation | BAYER AG (DE) | 1980-06-11 | — | — | EP | disclosed |