Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HTR6 | P50406 | 11/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18370167 | 0.81 | CYP2C19 (0.61) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL30411274 | 0.78 | CYP2C19 (0.61) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL2007654 | 0.78 | CYP2C19 (0.61) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL2009025 | 0.78 | CYP2C19 (0.61) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL23620190 | 0.78 | CYP2C19 (0.61) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL2011040 | 0.78 | CYP2C19 (0.61) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL1963075 | 0.77 | CYP2C19 (0.57) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL23970979 | 0.76 | CYP2C19 (0.56) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL29187957 | 0.76 | CYP2C19 (0.56) | CYP2C19HTR6MEN1KMT2ATSHR | |
| SCHEMBL23971058 | 0.75 | CYP2C19 (0.58) | CYP2C19HTR6MEN1KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |