Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8590396 | 0.91 | ESR1 (0.41) | ESR1ESR2 | |
| SCHEMBL27886551 | 0.78 | NPC1 (0.50) | NPC1MAPTRAB9ALMNAGAA | |
| SCHEMBL28770675 | 0.77 | YARS1 (0.37) | ESR1ESR2GRIN2DGRIN3BADRA1D | |
| SCHEMBL28116428 | 0.75 | KEAP1 (0.41) | MAPTALOX12MEN1ALDH1A1KMT2A | |
| SCHEMBL27903196 | 0.75 | TP53 (0.43) | NPC1RAB9ALMNAMEN1ALDH1A1 | |
| SCHEMBL10404684 | 0.74 | TYR (0.42) | — | |
| SCHEMBL28053402 | 0.74 | TP53 (0.42) | ESR1ESR2 | |
| SCHEMBL2331746 | 0.74 | TYR (0.39) | NPC1MAPTRAB9ALMNAGAA | |
| SCHEMBL27619569 | 0.73 | ESR1 (0.40) | MAPTLMNAGAAMEN1ALDH1A1 | |
| SCHEMBL28865180 | 0.72 | MME (0.39) | MME |
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 |
|---|---|---|---|---|---|---|---|
| CN-102869255-B | The novel inhibitors of GSNO reductase | 内瓦利斯治疗公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-102869255-A | Novel S-nitrosoglutathione reductase inhibitors | N30 PHARMACEUTICALS LLC | 2013-01-09 | — | — | CN | disclosed |