Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL4574763 | 0.92 | NPC1 (0.35) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL6111097 | 0.90 | OPRM1 (0.33) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL3159094 | 0.86 | MEN1 (0.38) | OPRM1BACE1MEN1KMT2APDE7A | |
| SCHEMBL1558737 | 0.86 | MEN1 (0.34) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL10526403 | 0.84 | OPRM1 (0.39) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL2050361 | 0.77 | CA12 (0.38) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL1769351 | 0.77 | HDAC4 (0.41) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL30929543 | 0.77 | HDAC4 (0.41) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL10528035 | 0.75 | ADRA1A (0.43) | OPRM1 | |
| SCHEMBL10526389 | 0.75 | TSHR (0.40) | OPRM1CA12CA1CA2CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4859232-A | Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes | MONSANTO COMPANY (US) | 1989-08-22 | — | — | US | claimed |
| WO-2008050200-A1 | OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| US-4859232-A | Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes | MONSANTO COMPANY (US) | 1989-08-22 | — | — | US | disclosed |