Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3948762 | 0.82 | CA2 (0.38) | ALDH1A1HSD17B10KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL3955087 | 0.81 | CA2 (0.37) | ALDH1A1HSD17B10TDP1KDM4ELMNA | |
| SCHEMBL5224094 | 0.77 | NPSR1 (0.45) | ALDH1A1KDM4ELMNA | |
| SCHEMBL16209016 | 0.72 | KDM4E (0.36) | ALDH1A1HSD17B10KDM4ELMNAHCAR2 | |
| SCHEMBL17782009 | 0.71 | TTR (0.34) | ALDH1A1CASP1CASP7HSD17B10TDP1 | |
| SCHEMBL353093 | 0.70 | — | — | |
| SCHEMBL950861 | 0.68 | — | — | |
| SCHEMBL649146 | 0.68 | — | — | |
| SCHEMBL1020837 | 0.68 | — | — | |
| SCHEMBL950773 | 0.68 | — | — |
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-4677199-A | Reactive dyes containing substituted 4-fluoropyridaz-6-one radicals | BASF AKTIENGESELLSCHAFT (DE) | 1987-06-30 | — | — | US | disclosed |