Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.43 |
| ▸ | BCHE | P06276 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9548555 | 0.84 | ACHE (0.46) | ACHEPTGS2BCHEFFAR1PPARA | |
| SCHEMBL16093202 | 0.80 | MEN1 (0.37) | ALDH1A1MEN1USP2LMNACYP3A4 | |
| SCHEMBL5796026 | 0.79 | PTGS2 (0.47) | ACHEPTGS2BCHEALDH1A1PPARA | |
| SCHEMBL17887377 | 0.79 | IDO1 (0.55) | ALDH1A1KMT2ASMN1; SMN2IDO1NPC1 | |
| SCHEMBL4738416 | 0.78 | ACHE (0.50) | ACHEPTGS2BCHEFFAR1PPARA | |
| SCHEMBL17885955 | 0.78 | NPC1 (0.43) | ALDH1A1MEN1USP2KMT2AIDO1 | |
| SCHEMBL13602773 | 0.78 | TSHR (0.47) | ALDH1A1MEN1USP2LMNACYP3A4 | |
| SCHEMBL4741412 | 0.77 | ACHE (0.43) | ACHEPTGS2BCHEALDH1A1FFAR1 | |
| SCHEMBL29171867 | 0.77 | NAAA (0.42) | ACHEPTGS2BCHEFFAR1PPARA | |
| SCHEMBL4661710 | 0.77 | L3MBTL1 (0.52) | ACHEBCHEPPARAMEN1KMT2A |
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-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |
| WO-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |