Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.30 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.30 |
| ▸ | CPN1 | P15169 | 1/20 | 0.30 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20079176 | 1.00 | KCNH2 (0.38) | KCNH2BPTFKDM1AMAOBGAA | |
| SCHEMBL17776608 | 1.00 | KCNH2 (0.38) | KCNH2BPTFKDM1AMAOBGAA | |
| SCHEMBL15016647 | 0.93 | KCNH2 (0.39) | KCNH2KDM1AMAOBMAPK1OPRK1 | |
| SCHEMBL7327965 | 0.93 | KCNH2 (0.39) | KCNH2KDM1AMAOBMAPK1OPRK1 | |
| SCHEMBL12258977 | 0.93 | KCNH2 (0.39) | KCNH2KDM1AMAOBMAPK1OPRK1 | |
| SCHEMBL3632849 | 0.86 | — | — | |
| SCHEMBL3980551 | 0.86 | — | — | |
| SCHEMBL655594 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL26685207 | 0.84 | KCNH2 (0.48) | KCNH2BPTFKDM1AMAOBEPHX1 | |
| Tert-Butyl Formate SCHEMBL27965622 | 0.81 | TDP1 (0.37) | BPTFMAPK1OPRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| US-9951065-B2 | Benzimidazole and imadazopyridine carboximidamide compounds | GILEAD SCIENCES, INC. (US) | 2018-04-24 | — | — | US | disclosed |