Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15987826 | 0.81 | MAPT (0.39) | NPC1RAB9ALMNASMN1; SMN2ADORA3 | |
| SCHEMBL2611844 | 0.81 | NPC1 (0.44) | NPC1RAB9ALMNASLC34A1NOTUM | |
| SCHEMBL15935037 | 0.81 | NPC1 (0.44) | NPC1RAB9ALMNASLC34A1NOTUM | |
| SCHEMBL2408424 | 0.79 | ALDH1A1 (0.43) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL9930836 | 0.78 | NPC1 (0.46) | NPC1RAB9ALMNASLC34A1NOTUM | |
| SCHEMBL19119887 | 0.78 | LRRK2 (0.40) | NPC1RAB9ALMNANOTUMKMT2A | |
| SCHEMBL19120512 | 0.77 | NPC1 (0.40) | NPC1RAB9ALMNANOTUMMAOB | |
| SCHEMBL31466216 | 0.77 | L3MBTL1 (0.43) | SMN1; SMN2POLBALDH1A1MAPK1KDM4E | |
| SCHEMBL19120622 | 0.76 | TRPV4 (0.34) | SLC34A1 | |
| SCHEMBL24202824 | 0.75 | NPC1 (0.40) | NPC1RAB9ALMNASLC34A1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3400220-B1 | PYRAZOLE DERIVATIVES | HUA MEDICINE SHANGHAI LTD (CN) | 2021-03-24 | — | — | EP | disclosed |