Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3715365 | 0.80 | NFE2L2 (0.41) | NFE2L2ALDH1A1ERN1ACHETRPA1 | |
| SCHEMBL3713124 | 0.79 | NFE2L2 (0.56) | NFE2L2ALDH1A1ACHETRPA1SMN1; SMN2 | |
| SCHEMBL1610122 | 0.77 | TRPA1 (0.41) | NFE2L2ALDH1A1GAAACHETRPA1 | |
| SCHEMBL97029 | 0.76 | ERN1 (0.57) | NFE2L2ALDH1A1ERN1ACHE | |
| SCHEMBL16951325 | 0.76 | ERN1 (0.42) | NFE2L2ALDH1A1GAAERN1ACHE | |
| SCHEMBL7542298 | 0.76 | NFE2L2 (0.41) | NFE2L2ALDH1A1GAAERN1ACHE | |
| SCHEMBL29956284 | 0.76 | ERN1 (0.57) | NFE2L2ALDH1A1ERN1ACHE | |
| SCHEMBL3716195 | 0.74 | ALDH1A1 (0.37) | NFE2L2ALDH1A1GAAACHECYP1A2 | |
| SCHEMBL22122728 | 0.74 | ERN1 (0.55) | NFE2L2ALDH1A1ERN1ACHE | |
| Hydrochloric Acid SCHEMBL28530037 | 0.74 | ERN1 (0.55) | NFE2L2ALDH1A1ERN1ACHE |
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-2010131146-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |