Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1760762 | 0.83 | CYP1A2 (0.52) | TRPA1MEN1KMT2AMAOBCYP1A2 | |
| SCHEMBL1760765 | 0.83 | CYP1A2 (0.52) | TRPA1MEN1KMT2AMAOBCYP1A2 | |
| SCHEMBL4632481 | 0.81 | TRPA1 (0.59) | TRPA1ALDH1A1MAPTCYP1B1MEN1 | |
| SCHEMBL4632483 | 0.81 | TRPA1 (0.59) | TRPA1ALDH1A1MAPTCYP1B1MEN1 | |
| SCHEMBL7116007 | 0.80 | CYP1B1 (0.43) | ALDH1A1MAPTCYP1B1PPARGMAOB | |
| SCHEMBL31457128 | 0.79 | NFE2L2 (0.55) | MAPTMEN1KMT2ANFE2L2CYP3A4 | |
| SCHEMBL31457126 | 0.77 | TYR (0.52) | TRPA1ALDH1A1KMT2APPARGCYP1A2 | |
| SCHEMBL31457127 | 0.77 | ALDH1A1 (0.50) | TRPA1ALDH1A1MEN1KMT2ARELA | |
| SCHEMBL699621 | 0.77 | TRPA1 (1.00) | TRPA1ALDH1A1CYP1B1NFE2L2RAB9A | |
| SCHEMBL699620 | 0.77 | TRPA1 (1.00) | TRPA1ALDH1A1CYP1B1NFE2L2RAB9A |
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-105085380-A | NN ligand, NN ligand iron complex, crystals, preparation method and applications thereof | SHANGHAI INST ORGANIC CHEM | 2015-11-25 | — | — | CN | disclosed |