Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | PNMT | P11086 | 6/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL26963075 | 0.93 | KDM4E (0.51) | KDM4EALDH1A1LMNATP53GAA | |
| SCHEMBL30014961 | 0.86 | ALDH1A1 (0.49) | KDM4EALDH1A1LMNATP53GAA | |
| SCHEMBL26962981 | 0.86 | ALDH1A1 (0.49) | KDM4EALDH1A1LMNATP53GAA | |
| SCHEMBL3873373 | 0.81 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL29587163 | 0.81 | PNMT (0.55) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL29127575 | 0.81 | ASIC3 (0.47) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL19954776 | 0.80 | ALDH1A1 (0.53) | KDM4EALDH1A1LMNATP53GAA | |
| Hydrochloric Acid SCHEMBL21331203 | 0.79 | PNMT (0.53) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| Hydrochloric Acid SCHEMBL29586544 | 0.79 | PNMT (0.53) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL2061568 | 0.78 | ALDH1A1 (0.52) | KDM4EALDH1A1LMNATP53GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861250-A1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Astra Aktiebolag (SE) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997017344-A1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRA AKTIEBOLAG (SE) | 1997-05-15 | — | — | WO | disclosed |