Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053224 | 0.81 | PTGS2 (0.57) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL11049382 | 0.80 | PTGS2 (0.56) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL11022603 | 0.80 | PTGS2 (0.56) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL6132561 | 0.80 | PTGS2 (0.66) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL11019659 | 0.79 | PTGS2 (0.54) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL11040012 | 0.78 | SMN1; SMN2 (0.56) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL11021833 | 0.78 | PTGS2 (0.53) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL11021658 | 0.78 | PTGS2 (0.53) | PTGS1PTGS2ALDH1A1HPGDMAPK1 | |
| SCHEMBL10973892 | 0.78 | PTGS2 (0.59) | PTGS1PTGS2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11051240 | 0.77 | ALDH1A1 (0.55) | PTGS1PTGS2ALDH1A1HPGDMAPK1 |
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-0157259-A1 | 3-Mercapto-1,2,4-triazacycloalcadiene derivatives | CIBA-GEIGY AG (CH) | 1985-10-09 | — | — | EP | claimed |
| EP-0157259-A1 | 3-Mercapto-1,2,4-triazacycloalcadiene derivatives | CIBA-GEIGY AG (CH) | 1985-10-09 | — | — | EP | disclosed |