Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL432561 | 0.82 | OPRM1 (0.59) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL19785448 | 0.80 | HSD11B1 (0.39) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL872608 | 0.78 | OPRM1 (0.56) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL56575 | 0.78 | NPC1 (0.57) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL18461559 | 0.78 | OPRL1 (0.46) | OPRM1OPRD1OPRL1 | |
| SCHEMBL181145 | 0.76 | NPC1 (0.55) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL18768887 | 0.76 | NPC1 (0.55) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL19249603 | 0.76 | NPC1 (0.55) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL3888335 | 0.75 | OPRM1 (0.53) | OPRM1CA12CA1CA2CA9 | |
| SCHEMBL3281976 | 0.75 | OPRM1 (0.53) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019158019-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海青煜医药科技有限公司 | 2019-08-22 | — | — | WO | disclosed |