Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 7/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31474193 | 0.84 | RARB (0.39) | KDM4EALDH1A1PDK2HPGDNPSR1 | |
| SCHEMBL31235904 | 0.83 | PKM (0.41) | S1PR5S1PR1S1PR3ATMTSHR | |
| SCHEMBL31566428 | 0.81 | KDM4E (0.35) | KDM4EALDH1A1PDK2HPGDNPSR1 | |
| SCHEMBL31566421 | 0.80 | ALOX5 (0.42) | KDM4EALDH1A1PDK2HPGDNPSR1 | |
| SCHEMBL31566426 | 0.76 | CA12 (0.35) | KDM4EALDH1A1PDK2TDP1L3MBTL1 | |
| SCHEMBL31474127 | 0.74 | PDK2 (0.35) | KDM4EALDH1A1PDK2HPGDPOLB | |
| SCHEMBL31474150 | 0.73 | CA12 (0.34) | KDM4EALDH1A1PDK2HPGDHTT | |
| SCHEMBL31719478 | 0.72 | PARP1 (0.43) | KDM4EALDH1A1PDK2HPGDATM | |
| SCHEMBL31474132 | 0.72 | KDM4E (0.41) | S1PR5S1PR1S1PR3KDM4EALDH1A1 | |
| SCHEMBL522062 | 0.71 | CA12 (0.52) | KDM4EALDH1A1PDK2HPGDTDP1 |
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-2025061148-A1 | HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2025-03-27 | — | — | WO | disclosed |