Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11228055 | 0.84 | ALDH1A1 (0.37) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL3075111 | 0.77 | TSHR (0.47) | CACNA2D1CACNB3CACNA1CPGRADRA1A | |
| SCHEMBL11222909 | 0.74 | ALDH1A1 (0.30) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL11216886 | 0.73 | — | — | |
| SCHEMBL28633153 | 0.72 | — | — | |
| SCHEMBL834041 | 0.71 | — | — | |
| SCHEMBL5696405 | 0.71 | TSHR (0.33) | TSHR | |
| SCHEMBL7525622 | 0.71 | CA1 (0.35) | ALDH1A1 | |
| Isobutane SCHEMBL7910872 | 0.69 | — | — | |
| Isobutane SCHEMBL3986587 | 0.69 | — | — |
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-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |