Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL23481671 | 0.84 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL16804931 | 0.82 | ALDH1A1 (0.49) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL23327866 | 0.81 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1L3MBTL1KMT2A | |
| SCHEMBL3916011 | 0.77 | NPC1 (0.45) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL20173268 | 0.76 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL4063190 | 0.76 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL16803969 | 0.76 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL20675615 | 0.74 | ALDH1A1 (0.47) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL3922553 | 0.74 | P2RX4 (0.45) | NPC1RAB9AALDH1A1L3MBTL1HTR2C | |
| SCHEMBL29010236 | 0.72 | PARP1 (0.48) | NPC1RAB9AALDH1A1L3MBTL1P2RX4 |
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-114057646-B | Pyrazole derivative and application thereof in preparation of antitumor drugs | 常州大学 | 2023-05-02 | — | — | CN | disclosed |