Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 5/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CASP4 | P49662 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7552765 | 0.99 | PNMT (0.55) | PNMTADRA2ALMNASIRT6ADRB1 | |
| SCHEMBL3885369 | 0.80 | SIRT2 (0.55) | LMNASIRT6SIRT2ALDH1A1GAA | |
| SCHEMBL3481133 | 0.78 | ALDH1A1 (0.55) | LMNASIRT6SIRT2ALDH1A1GAA | |
| SCHEMBL2061992 | 0.77 | ALDH1A1 (0.51) | LMNASIRT2ALDH1A1GAACASP1 | |
| SCHEMBL21671871 | 0.77 | SIRT6 (0.50) | LMNASIRT6SIRT2ALDH1A1GAA | |
| SCHEMBL30026696 | 0.77 | ALDH1A1 (0.48) | LMNAALDH1A1GAACASP1CASP3 | |
| SCHEMBL9700470 | 0.77 | ALDH1A1 (0.48) | LMNAALDH1A1GAACASP1CASP3 | |
| SCHEMBL9499652 | 0.75 | L3MBTL1 (0.51) | LMNASIRT6ALDH1A1GAACASP1 | |
| SCHEMBL2061057 | 0.74 | MAPT (0.41) | ADRA2CALDH1A1GAA | |
| SCHEMBL28837930 | 0.74 | PNMT (0.50) | PNMTADRA2AADRA2BADRA2C |
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-1207098-A | Amidine and isothiourea derivatives as nitric oxide synthase inhibitors | ASTRA AB (SE) | 1999-02-03 | — | — | CN | disclosed |