Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
| ▸ | F13A1 | P00488 | 1/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | TGM1 | P22735 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL27785767 | 0.88 | SLC6A3 (0.39) | CA12CA1CA2CA9GAA | |
| SCHEMBL27989543 | 0.79 | EP300 (0.33) | GAAL3MBTL1ALDH1A1MMP2MMP9 | |
| SCHEMBL27539253 | 0.79 | OPRD1 (0.49) | OPRD1CHRM2CHRM1IKBKBCHUK | |
| SCHEMBL27989545 | 0.73 | ADAM17 (0.36) | CA12CA1CA2CA9SLC6A2 | |
| SCHEMBL27785794 | 0.73 | MCOLN3 (0.43) | ALDH1A1HTR6 | |
| SCHEMBL15231766 | 0.70 | MAPT (0.65) | IKBKBCHUKGAAL3MBTL1PKM | |
| Hydrochloric Acid SCHEMBL3246796 | 0.69 | MAPT (0.63) | IKBKBCHUKGAAL3MBTL1PKM | |
| SCHEMBL27719684 | 0.69 | TSHR (0.40) | CA12CA1CA2CA9GAA | |
| SCHEMBL27642279 | 0.68 | ALDH1A1 (0.41) | GAAKDM4EALDH1A1LMNA | |
| SCHEMBL11330861 | 0.67 | MAPT (0.53) | CA12CA1CA2CA9MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-104603134-A | Amido-benzyl sulfone and sulfoxide derivatives | GENENTECH INC | 2015-05-06 | — | — | CN | disclosed |