Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL30954742 | 0.82 | OPRD1 (0.43) | OPRD1CA9CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL30954709 | 0.80 | OPRD1 (0.44) | OPRD1CA9CA12CA1CA2 | |
| SCHEMBL30954745 | 0.77 | OPRD1 (0.42) | OPRD1CA9CA12CA1CA2 | |
| SCHEMBL26640593 | 0.73 | CA9 (0.38) | OPRD1CA9CA12CA1CA2 | |
| SCHEMBL30648685 | 0.73 | CA9 (0.38) | OPRD1CA9CA12CA1CA2 | |
| SCHEMBL21173057 | 0.73 | OPRD1 (0.44) | OPRD1SIGMAR1 | |
| SCHEMBL30954734 | 0.71 | OPRD1 (0.35) | OPRD1CA9CA12CA1CA2 | |
| SCHEMBL30954736 | 0.71 | OPRD1 (0.35) | OPRD1CA9CA12CA1CA2 | |
| SCHEMBL31394524 | 0.69 | SLC6A4 (0.39) | MAPTLMNA | |
| SCHEMBL22271469 | 0.65 | CA9 (0.38) | CA9CA12CA1CA2MAPT |
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-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |