Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FYN | P06241 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 3/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCND3 | P30281 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | NCOA2 | Q15596 | 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 | |
|---|---|---|---|---|
| SCHEMBL2331129 | 0.89 | RXRA (0.36) | HSD17B1HSD17B2ADORA2AIKBKBKDM4E | |
| SCHEMBL2324582 | 0.89 | IKBKB (0.39) | ADORA2AIKBKBKDM4EPPARGNCOA2 | |
| SCHEMBL2330747 | 0.89 | IKBKB (0.44) | SMN1; SMN2ADORA2AIKBKB | |
| SCHEMBL2327822 | 0.89 | TRPM8 (0.36) | SMN1; SMN2ADORA2AIKBKBTRPM8KDM4E | |
| SCHEMBL2324316 | 0.87 | IKBKB (0.47) | SMN1; SMN2ADORA2AIKBKBKDM4EHSD17B10 | |
| SCHEMBL2330683 | 0.85 | ADORA2A (0.38) | FYNADORA2AIKBKBPPARGSLC16A3 | |
| SCHEMBL2327504 | 0.85 | PTGER1 (0.38) | FYNSMN1; SMN2LRRK2ADORA2AGPR52 | |
| SCHEMBL2327570 | 0.85 | LRRK2 (0.36) | FYNSMN1; SMN2LRRK2ADORA2AIKBKB | |
| SCHEMBL2331664 | 0.83 | MAPK14 (0.34) | IKBKB | |
| SCHEMBL1703783 | 0.82 | LRRK2 (0.35) | SMN1; SMN2LRRK2GPR52CSNK2A1SLC16A3 |
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-2225231-B1 | AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-08-17 | — | — | EP | claimed |
| EP-2225231-B1 | AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-08-17 | — | — | EP | disclosed |