Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29995392 | 0.74 | ACHE (0.57) | KDM4EALDH1A1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL16825171 | 0.74 | NPSR1 (0.44) | ALDH1A1MAPTL3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL11962286 | 0.73 | ACHE (0.54) | KDM4EALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL9228881 | 0.72 | NCOA1 (0.49) | ALDH1A1MAPTL3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL7260172 | 0.68 | PTGDR2 (0.53) | KDM4EALDH1A1TDP1L3MBTL1HPGD | |
| SCHEMBL4636986 | 0.68 | SCN9A (0.47) | PTGDR2 | |
| SCHEMBL28713548 | 0.68 | HTR7 (0.55) | KDM4EALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL3158948 | 0.68 | TDP1 (0.51) | KDM4EALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL3168328 | 0.67 | L3MBTL1 (0.54) | KDM4EALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL29995391 | 0.67 | L3MBTL1 (0.54) | KDM4EALDH1A1MAPTTDP1L3MBTL1 |
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-115348961-A | Heterocyclic PAD4 inhibitors | 百时美施贵宝公司 | 2022-11-15 | — | — | CN | disclosed |