Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10263187 | 0.83 | ESR2 (0.44) | ACHEPTGS2MEN1NPC1RAB9A | |
| SCHEMBL21937382 | 0.81 | MEN1 (0.43) | ACHEPTGS2TDO2CCNE1CDK2 | |
| SCHEMBL17991851 | 0.79 | PARP10 (0.42) | GCGRMAPK14MAPTPDE3BPDE3A | |
| SCHEMBL803253 | 0.77 | PTGS2 (0.38) | PTGS2PTGS1POLB | |
| SCHEMBL16805983 | 0.76 | MAPT (0.41) | PTGS2MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL20364249 | 0.75 | POLB (0.45) | ACHEPTGS2TDO2CCNE1CDK2 | |
| SCHEMBL13545693 | 0.74 | PTGS2 (0.44) | ACHEPTGS2MAPK14KDM4ENPC1 | |
| SCHEMBL10304731 | 0.74 | PTGS2 (0.44) | ACHEPTGS2MAPK14KDM4EMEN1 | |
| SCHEMBL3748937 | 0.73 | PDE3B (0.46) | ACHEPTGS2GCGRMAPK14ABL1 | |
| SCHEMBL3750244 | 0.73 | ABL1 (0.51) | ACHEPTGS2GCGRMAPK14ABL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2855453-B1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-07 | — | — | EP | disclosed |