Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | CASP4 | P49662 | 1/20 | 0.53 |
| ▸ | CASP7 | P55210 | 1/20 | 0.53 |
| ▸ | CASP9 | P55211 | 1/20 | 0.53 |
| ▸ | CASP6 | P55212 | 1/20 | 0.53 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11860611 | 0.81 | KMT2A (0.45) | ALDH1A1GAALMNAKMT2ASMN1; SMN2 | |
| SCHEMBL11873109 | 0.80 | GABRG2 (0.51) | ALDH1A1LMNAKMT2AGABRA1GABRG2 | |
| SCHEMBL11856807 | 0.80 | OPRK1 (0.42) | ALDH1A1GAALMNAGABRA1GABRG2 | |
| SCHEMBL11782432 | 0.80 | DDB1 (0.40) | ACHEALDH1A1LMNAKMT2AGABRA1 | |
| SCHEMBL11868087 | 0.77 | KMT2A (0.49) | ALDH1A1GAAARKMT2AGABRG2 | |
| SCHEMBL7580646 | 0.77 | POLB (0.56) | CASP3ALDH1A1GAALMNAKMT2A | |
| SCHEMBL11862801 | 0.76 | SIRT2 (0.46) | CASP1CASP3CASP4CASP7CASP9 | |
| SCHEMBL11192687 | 0.75 | DDB1 (0.50) | CASP3ALDH1A1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL14288831 | 0.73 | POLB (0.58) | ALDH1A1GAALMNAGABRA1GABRG2 | |
| SCHEMBL11187568 | 0.73 | GABRG2 (0.56) | LMNAKMT2AGABRA1GABRG2GABRB3 |
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-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 |