Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29114965 | 0.84 | DYRK1A (0.51) | KMT2ARAB9ASMN1; SMN2NPC1POLB | |
| SCHEMBL29114996 | 0.84 | SMN1; SMN2 (0.53) | KMT2ALMNARAB9AMAPK1SMN1; SMN2 | |
| SCHEMBL29114956 | 0.81 | PTPN1 (0.53) | KMT2ALMNARAB9ANPC1POLB | |
| SCHEMBL11627166 | 0.79 | CYP1A2 (0.75) | CYP1A2CYP3A4KMT2AL3MBTL1LMNA | |
| SCHEMBL17511287 | 0.77 | SMN1; SMN2 (0.52) | KMT2ALMNARAB9AMAPK1SMN1; SMN2 | |
| SCHEMBL11829496 | 0.76 | CYP1A2 (0.81) | CYP1A2CYP3A4KMT2AL3MBTL1LMNA | |
| SCHEMBL29114964 | 0.74 | MAPT (0.53) | KMT2ALMNAMAPK1SMN1; SMN2DYRK1A | |
| SCHEMBL11625714 | 0.74 | CYP1A2 (1.00) | CYP1A2CYP3A4KMT2AL3MBTL1LMNA | |
| SCHEMBL29114941 | 0.74 | POLB (0.50) | KMT2ALMNARAB9ASMN1; SMN2POLB | |
| SCHEMBL29114917 | 0.74 | LMNA (0.53) | CYP1A2CYP3A4KMT2ALMNADYRK1A |
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-117143019-A | As beta 2 Pyrazole amide derivatives of allosteric antagonists of the adrenergic receptors | 常州大学 | 2023-12-01 | — | — | CN | disclosed |