Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 7/20 | 0.48 |
| ▸ | LIPG | Q9Y5X9 | 7/20 | 0.48 |
| ▸ | F11 | P03951 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28690594 | 0.89 | HRH3 (0.53) | LPLLIPGF11CA1CA2 | |
| SCHEMBL18580127 | 0.84 | LPL (0.46) | LPLLIPGF11CA1CA2 | |
| SCHEMBL14293299 | 0.78 | KDM4E (0.48) | LPLLIPGCA1CA2CA9 | |
| SCHEMBL31629990 | 0.77 | ACHE (0.52) | OPRM1OPRL1HRH3OPRD1OPRK1 | |
| SCHEMBL21744620 | 0.76 | OPRM1 (0.65) | OPRM1OPRL1MEN1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL31629842 | 0.74 | OPRM1 (0.66) | OPRM1OPRL1MEN1RAB9AKMT2A | |
| SCHEMBL15788103 | 0.74 | LPL (0.61) | LPLLIPGF11CA1CA2 | |
| SCHEMBL3345456 | 0.73 | LIPG (0.43) | LPLLIPGF11CA1CA2 | |
| SCHEMBL10267159 | 0.72 | LPL (0.59) | LPLLIPGF11CA1CA2 | |
| SCHEMBL21850759 | 0.72 | LPL (0.44) | LPLLIPGF11CA1CA2 |
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-2008021849-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |