Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.57 |
| ▸ | CASP6 | P55212 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | CASP4 | P49662 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | CASP9 | P55211 | 1/20 | 0.57 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.51 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.51 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.51 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.51 |
| ▸ | CCKBR | P32239 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | MC3R | P41968 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14481009 | 0.78 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL2060905 | 0.78 | CASP3 (0.50) | CASP3CASP6CASP1CASP4CASP7 | |
| SCHEMBL7002012 | 0.77 | NR1H2 (0.48) | CASP1CASP7NR1H2NR1H3LMNA | |
| SCHEMBL4818630 | 0.77 | GABRA1 (0.45) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL607738 | 0.77 | LMNA (0.51) | LMNAALDH1A1GAAGABRA1GABRG2 | |
| SCHEMBL2759567 | 0.77 | CASP3 (0.53) | CASP3LMNAGAAGABRA1GABRG2 | |
| SCHEMBL2144234 | 0.74 | CYP3A4 (0.54) | CASP3LMNAALDH1A1TDP1CYP3A4 | |
| SCHEMBL14552559 | 0.73 | CLK4 (0.46) | LMNAGAAGABRA1GABRG2GABRB3 | |
| SCHEMBL18856567 | 0.73 | ALDH1A1 (0.53) | CASP3CASP6CASP1CASP4CASP7 | |
| SCHEMBL30232255 | 0.73 | CASP3 (1.00) | CASP3CASP6CASP1CASP4CASP7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861250-B1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| US-6140322-A | Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 2000-10-31 | — | — | US | disclosed |
| US-5929085-A | Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 1999-07-27 | — | — | US | disclosed |
| 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 |