Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.37 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.37 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.37 |
| ▸ | TUBA3E | Q6PEY2 | 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 | |
|---|---|---|---|---|
| Formamide SCHEMBL28210311 | 0.89 | NFE2L2 (0.49) | NFE2L2ALDH1A1CYP2A6MMP2MMP9 | |
| SCHEMBL115868 | 0.88 | — | — | |
| SCHEMBL29413312 | 0.88 | — | — | |
| SCHEMBL2641846 | 0.73 | NFE2L2 (0.67) | NFE2L2ALDH1A1HPGDTUBB4ATUBB | |
| SCHEMBL2641840 | 0.73 | NFE2L2 (0.67) | NFE2L2ALDH1A1HPGDTUBB4ATUBB | |
| SCHEMBL7407630 | 0.72 | ALDH1A1 (0.49) | ALDH1A1F2GLAHPGD | |
| SCHEMBL733531 | 0.71 | TUBB4A (0.51) | NFE2L2ALDH1A1CYP2A6F2GLA | |
| SCHEMBL595487 | 0.69 | CHRNB2 (0.44) | NFE2L2 | |
| Formic Acid Methyl Ester SCHEMBL28185428 | 0.69 | NFE2L2 (0.38) | NFE2L2ALDH1A1CYP2A6 | |
| SCHEMBL29965553 | 0.69 | CHRNB2 (0.44) | NFE2L2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107921138-A | Therapeutic alliance including giving 2 amino, 3,5,5 trifluoro, 3,4,5,6 tetrahydropyridine | H.隆德贝克有限公司 | 2018-04-17 | — | — | CN | disclosed |