Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL23879266 | 1.00 | CA12 (0.47) | CA12CA1CA2CA4CA6 | |
| SCHEMBL30452460 | 0.90 | MAPT (0.44) | HTTLMNARAB9APKMNPSR1 | |
| SCHEMBL30452606 | 0.90 | MAPT (0.44) | HTTLMNARAB9APKMNPSR1 | |
| SCHEMBL23879245 | 0.90 | MAPT (0.44) | HTTLMNARAB9APKMNPSR1 | |
| SCHEMBL23879240 | 0.84 | TSHR (0.41) | TSHRHTTLMNANPSR1KMT2A | |
| SCHEMBL30452623 | 0.84 | TSHR (0.41) | TSHRHTTLMNANPSR1KMT2A | |
| SCHEMBL4318037 | 0.73 | MAPT (0.37) | TSHRLMNARAB9AKMT2AMAPT | |
| SCHEMBL23879259 | 0.73 | GAA (0.43) | HTTLMNANPSR1KMT2AGAA | |
| SCHEMBL30452188 | 0.73 | GAA (0.43) | HTTLMNANPSR1KMT2AGAA | |
| SCHEMBL23879233 | 0.73 | PLAU (0.37) | HTTLMNANPSR1PLAUKMT2A |
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-111253404-B | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |