Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30158931 | 0.91 | JMJD6 (0.36) | CYP11B1CYP11B2MCHR1TRPV4MEN1 | |
| SCHEMBL30850116 | 0.84 | GRM5 (0.42) | TGFBR1GRM5KDM4ETRPV4ALDH1A1 | |
| SCHEMBL30159114 | 0.82 | AKT1 (0.46) | CYP11B1CYP11B2TGFBR1GRM5KDM4E | |
| SCHEMBL23970744 | 0.78 | ALDH1A1 (0.40) | CYP11B1CYP11B2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL30850082 | 0.76 | NPC1 (0.48) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL30159083 | 0.75 | KDM4E (0.42) | KDM4EALDH1A1GAASMN1; SMN2MEN1 | |
| SCHEMBL30159222 | 0.73 | CYP11B1 (0.49) | CYP11B1CYP11B2KDM4EMCHR1ALDH1A1 | |
| SCHEMBL30158928 | 0.71 | JMJD6 (0.42) | CYP11B1CYP11B2TGFBR1MCHR1ALDH1A1 | |
| SCHEMBL30850076 | 0.70 | KDM4E (0.38) | CYP11B1CYP11B2KDM4EALDH1A1GAA | |
| SCHEMBL15173149 | 0.69 | KDM4E (0.56) | TGFBR1GRM5KDM4EALDH1A1SMN1; SMN2 |
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-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |