Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 3/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.46 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL657644 | 0.77 | NR1H2 (0.61) | HPGDSCYP1A2NPC1MAPTRAB9A | |
| SCHEMBL32667946 | 0.75 | PDGFRB (0.77) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL2772360 | 0.75 | PDGFRB (0.77) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL24412080 | 0.74 | PDGFRB (0.65) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL4170881 | 0.73 | HPGDS (0.61) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL17944740 | 0.71 | PDGFRB (0.61) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL29179966 | 0.71 | CYP1A2 (0.63) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL10051400 | 0.70 | PDGFRB (0.54) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL6985344 | 0.70 | POLB (0.57) | PDGFRBPDGFRACYP2A6NISCHBIRC5 | |
| SCHEMBL25439863 | 0.70 | CYP1A2 (0.56) | PDGFRBPDGFRACYP2A6NISCHBIRC5 |
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-0276793-B1 | 3-ARYL-5-ALKYLTHIO-4H-1,2,4-TRIAZOLES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-16 | — | — | EP | disclosed |
| EP-0226755-B1 | 5-HETEROCYCLIC-3H-1,2,4-TRIAZOLE-3-THIONES AND THEIR USE AS ANTIDEPRESSANTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-08-14 | — | — | EP | disclosed |