Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19658486 | 0.98 | ACHE (0.49) | ACHESMN1; SMN2CHRM5ADRA2CALDH1A1 | |
| SCHEMBL19658456 | 0.92 | SMN1; SMN2 (0.39) | ACHESMN1; SMN2 | |
| SCHEMBL23173765 | 0.86 | LMNA (0.42) | ACHESMN1; SMN2ALDH1A1CCR5 | |
| SCHEMBL23173896 | 0.84 | CACNA2D1 (0.40) | ACHESMN1; SMN2KDM4E | |
| SCHEMBL28003354 | 0.84 | OPRM1 (0.42) | ACHEALDH1A1PKMOPRM1OPRD1 | |
| SCHEMBL13478904 | 0.84 | ACHE (0.49) | ACHESMN1; SMN2CHRM5ADRA2CALDH1A1 | |
| SCHEMBL19658487 | 0.83 | ACHE (0.50) | ACHESMN1; SMN2CHRM5ADRA2C | |
| SCHEMBL19652133 | 0.81 | CCR5 (0.46) | ACHESMN1; SMN2CHRM5ADRA2CALDH1A1 | |
| SCHEMBL19658480 | 0.81 | ACHE (0.47) | ACHESMN1; SMN2CHRM5ADRA2C | |
| SCHEMBL12010865 | 0.80 | JAK2 (0.38) | CCR5 |
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-103396399-B | Nitrogenated aromatic 6-membered ring derivative, and pharmaceutical agent comprising same | DAIICHI SANKYO CO LTD | 2015-04-29 | — | — | CN | claimed |