Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | ELANE | P08246 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19407338 | 1.00 | NPSR1 (0.64) | NPSR1HDAC1HDAC2CYP1A2ELANE | |
| SCHEMBL19385987 | 0.85 | HTT (0.55) | HDAC1HDAC2CYP1A2ALDH1A1HPGD | |
| SCHEMBL29858122 | 0.85 | HTT (0.55) | HDAC1HDAC2CYP1A2ALDH1A1HPGD | |
| SCHEMBL15578063 | 0.85 | HDAC1 (0.61) | HDAC1HDAC2CYP1A2MAPTADORA2A | |
| SCHEMBL28205113 | 0.84 | HDAC1 (0.57) | HDAC1HDAC2CYP1A2ADORA2AADORA1 | |
| SCHEMBL8843570 | 0.84 | CYP1A2 (0.51) | NPSR1HDAC1HDAC2CYP1A2MAPT | |
| SCHEMBL933223 | 0.84 | HDAC1 (0.64) | HDAC1HDAC2CYP1A2MAPTKDM4E | |
| SCHEMBL20353961 | 0.83 | HDAC1 (0.59) | HDAC1HDAC2CYP1A2MAPTNPC1 | |
| SCHEMBL31536348 | 0.83 | HDAC1 (0.56) | NPSR1HDAC1HDAC2CYP1A2MAPT | |
| SCHEMBL19386088 | 0.83 | MTNR1A (0.50) | HDAC1HDAC2CYP1A2SMN1; SMN2ALDH1A1 |
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-109563045-B | Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation | 斯克里普斯研究学院 | 2022-08-23 | — | — | CN | disclosed |