Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.43 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.43 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.43 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132825 | 0.82 | SIGMAR1 (0.51) | KMT2AL3MBTL1SIGMAR1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL2338494 | 0.80 | SIGMAR1 (0.50) | KMT2ASIGMAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL18324410 | 0.78 | ADRA1D (0.53) | KMT2ASLC6A1SLC6A12SLC6A11SLC6A13 | |
| SCHEMBL6888936 | 0.78 | GRIN2D (0.46) | KMT2ASMN1; SMN2DRD2DRD3OPRM1 | |
| SCHEMBL23647544 | 0.77 | APP (0.48) | KMT2ASMN1; SMN2L3MBTL1SIGMAR1OPRM1 | |
| SCHEMBL12924078 | 0.75 | KDM4E (0.50) | KMT2AMEN1SMN1; SMN2CYP2D6ALOX15 | |
| SCHEMBL29993586 | 0.74 | SIGMAR1 (0.66) | KMT2ADRD2DRD3SIGMAR1OPRM1 | |
| SCHEMBL23647452 | 0.74 | SIGMAR1 (0.66) | KMT2ADRD2DRD3SIGMAR1OPRM1 | |
| SCHEMBL6888869 | 0.74 | OPRM1 (0.53) | OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL11398347 | 0.72 | OPRD1 (0.39) | KMT2ASLC6A1SLC6A12SLC6A11SLC6A13 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | WO | disclosed |