Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | PLA2G2C | Q5R387 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7535733 | 0.93 | — | — | |
| SCHEMBL7533557 | 0.88 | GAA (0.37) | ALDH1A1SMN1; SMN2CTSKHPGDRXFP1 | |
| SCHEMBL9475191 | 0.85 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2RNASELACACBHPGD | |
| SCHEMBL7531638 | 0.83 | BIRC2 (0.35) | BIRC2 | |
| SCHEMBL7534088 | 0.81 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2POLBBIRC2PLA2G2A | |
| SCHEMBL9475314 | 0.80 | PLA2G2C (0.41) | PLA2G2ANAAAPLA2G2CFAAH | |
| SCHEMBL7533989 | 0.73 | BIRC2 (0.32) | BIRC2ACACB | |
| SCHEMBL19002186 | 0.72 | — | — | |
| SCHEMBL9474481 | 0.71 | — | — | |
| SCHEMBL11576980 | 0.71 | ALDH1A1 (0.54) | ALDH1A1POLBNAAAHPGDPPARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | claimed |
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | disclosed |