Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR68 | Q15743 | 6/20 | 0.52 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | IDH2 | P48735 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | BRS3 | P32247 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29976032 | 1.00 | GPR68 (0.52) | GPR68KCNH3NPSR1ADORA2AHTR2B | |
| SCHEMBL16489591 | 0.68 | KDM4C (0.60) | KCNH3MEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL3298289 | 0.67 | KCNH3 (0.73) | KCNH3NPSR1GAAAPPALDH1A1 | |
| SCHEMBL6727019 | 0.65 | NPSR1 (0.74) | GPR68KCNH3NPSR1ADORA2AHTR2B | |
| SCHEMBL16489564 | 0.65 | KDM4C (0.56) | KCNH3BRS3MEN1ALDH1A1HPGD | |
| SCHEMBL23139067 | 0.65 | KCNH3 (0.56) | KCNH3GAAAPP | |
| SCHEMBL15102205 | 0.64 | IDH2 (0.83) | KCNH3NPSR1IDH2NPC1RAB9A | |
| SCHEMBL29763357 | 0.64 | IDH2 (0.83) | KCNH3NPSR1IDH2NPC1RAB9A | |
| SCHEMBL22698976 | 0.64 | KMT2A (0.53) | NPSR1BRS3RAB9AMEN1ALDH1A1 | |
| SCHEMBL14869402 | 0.62 | NPSR1 (0.64) | GPR68KCNH3NPSR1ADORA2AHTR2B |
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-3686190-A1 | SYNTHESIS OF THERAPEUTICALLY ACTIVE COMPOUNDS | Agios Pharmaceuticals, Inc. (US) | 2020-07-29 | — | — | EP | claimed |