Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | BCHE | P06276 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24939754 | 0.82 | NPC1 (0.44) | HPGDGAAMAPTCYP2D6TSHR | |
| SCHEMBL24754283 | 0.80 | CA12 (0.51) | CA12CA1CA9BCHEALDH1A1 | |
| SCHEMBL24938763 | 0.78 | MTNR1A (0.51) | CA12CA1CA2CA9BCHE | |
| SCHEMBL26729524 | 0.77 | TSHR (0.46) | CA12CA2CA9ALDH1A1KDM4E | |
| SCHEMBL24754336 | 0.77 | ALDH2 (0.43) | ALDH1A1KDM4EHPGDGAAMAPT | |
| SCHEMBL24950270 | 0.76 | MTNR1A (0.52) | CA12CA1CA2CA9PTGS2 | |
| SCHEMBL24302316 | 0.74 | CA12 (0.46) | CA12CA1CA9ALDH1A1KDM4E | |
| SCHEMBL6990733 | 0.74 | CYP1A1 (0.45) | CA12CA1CA2CA9BCHE | |
| SCHEMBL24949357 | 0.73 | BCHE (0.49) | CA12CA1CA2CA9BCHE | |
| SCHEMBL18611665 | 0.73 | CA12 (0.51) | CA12CA1CA2CA9BCHE |
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-2023001028-A1 | HETEROARYL-3-PIPERIDINEDIONE COMPOUND AND USE THEREOF | 南京明德新药研发有限公司 | 2023-01-26 | — | — | WO | disclosed |