Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 11/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 8/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL383577 | 0.83 | PNMT (0.74) | PNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL1786988 | 0.82 | PNMT (0.72) | PNMTADRA2AADRA2BADRA2C | |
| Tert-Butyl Formate SCHEMBL28007057 | 0.79 | TDP2 (0.42) | PNMTADRA2AADRA2BADRA2C | |
| Nitric Acid SCHEMBL4718617 | 0.79 | PNMT (0.68) | PNMTADRA2AADRA2BADRA2C | |
| Nitric Acid SCHEMBL4718613 | 0.79 | PNMT (0.68) | PNMTADRA2AADRA2BADRA2C | |
| Tert-Butyl Formate SCHEMBL27760484 | 0.77 | PNMT (0.45) | PNMTADRA2AADRA2BADRA2C | |
| Tert-Butyl Formate SCHEMBL27721637 | 0.77 | PNMT (0.47) | PNMTADRA2AADRA2BADRA2C | |
| Tert-Butyl Formate SCHEMBL27721654 | 0.77 | PNMT (0.47) | PNMTADRA2AADRA2BADRA2C | |
| Tert-Butyl Formate SCHEMBL27811317 | 0.77 | TDP1 (0.41) | — | |
| Tert-Butyl Formate SCHEMBL27701309 | 0.77 | TDP1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103421005-A | Acetylene derivative capable of resisting activity of tumor | SHANGHAI PHARMACEUTICAL GROUP CO LTD | 2013-12-04 | — | — | CN | disclosed |