Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | HCK | P08631 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL10898932 | 0.82 | MAOB (0.37) | BDKRB2TSHRHSD17B10AGTR2HRH3 | |
| SCHEMBL7658469 | 0.80 | TSHR (0.53) | BDKRB2TSHRHSD17B10 | |
| SCHEMBL9552905 | 0.77 | HSD17B10 (0.67) | TSHRHSD17B10HRH3EGFRMTOR | |
| SCHEMBL10897775 | 0.77 | HSD17B10 (0.67) | TSHRHSD17B10HRH3EGFRMTOR | |
| SCHEMBL13947166 | 0.77 | MAOB (0.40) | PIK3CDABL1EGFRHCKSRC | |
| SCHEMBL20902563 | 0.77 | MEN1 (0.42) | TSHRPIK3CDABL1EGFRHCK | |
| SCHEMBL21463110 | 0.76 | BDKRB2 (0.36) | BDKRB2TSHRHSD17B10CSNK1E | |
| SCHEMBL10898705 | 0.76 | HSD17B10 (0.70) | TSHRHSD17B10HRH3EGFRMTOR | |
| SCHEMBL10900932 | 0.76 | HSD17B10 (0.70) | TSHRHSD17B10HRH3EGFRMTOR | |
| SCHEMBL10898694 | 0.76 | HSD17B10 (0.70) | TSHRHSD17B10HRH3EGFRMTOR |
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-4572794-A | Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-02-25 | — | — | US | disclosed |