Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | KCNQ3 | O43525 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23088434 | 1.00 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19EPHX2L3MBTL1 | |
| SCHEMBL4440336 | 0.87 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19L3MBTL1RAB9A | |
| SCHEMBL9823917 | 0.84 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19L3MBTL1IDO1 | |
| SCHEMBL7871733 | 0.83 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19L3MBTL1IDO1 | |
| SCHEMBL13881965 | 0.83 | CYP2C9 (0.75) | CYP1A2CYP2C9CYP2C19L3MBTL1IDO1 | |
| SCHEMBL13434123 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19EPHX2L3MBTL1 | |
| SCHEMBL2192767 | 0.82 | ALDH1A1 (0.60) | CYP1A2CYP2C9CYP2C19EPHX2RAB9A | |
| SCHEMBL3926310 | 0.82 | SMN1; SMN2 (0.54) | CYP1A2CYP2C9CYP2C19EPHX2RAB9A | |
| SCHEMBL6422179 | 0.82 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19L3MBTL1IDO1 | |
| SCHEMBL20646201 | 0.81 | CYP1A2 (0.77) | CYP1A2CYP2C9CYP2C19L3MBTL1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4031547-A1 | PLASMA KALLIKREIN INHIBITORS AND USES THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2022-07-27 | — | — | EP | disclosed |