Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22572882 | 0.84 | CYP3A4 (0.48) | AHRPTGS1CYP3A4TP53ALDH1A1 | |
| SCHEMBL28300904 | 0.77 | TSHR (0.52) | TSHRAHRPTGS1MAPTTPMT | |
| SCHEMBL5750483 | 0.77 | KDM4E (0.50) | TSHRAHRPTGS1MAPTTPMT | |
| SCHEMBL14198038 | 0.77 | FBP1 (0.53) | TSHRMAPTALDH1A1 | |
| SCHEMBL28190204 | 0.77 | TSHR (0.52) | TSHRAHRPTGS1MAPTTPMT | |
| SCHEMBL10744558 | 0.75 | AKR1C3 (0.55) | TPMT | |
| SCHEMBL10744557 | 0.75 | AKR1C3 (0.55) | TPMT | |
| SCHEMBL9494242 | 0.74 | TRPA1 (0.57) | AHRPTGS1TRPA1ALDH1A1HSD17B10 | |
| 1,3,5-Trichlorobenzene SCHEMBL27517345 | 0.69 | TSHR (0.73) | TSHRAHRMAPTCYP3A4TPMT | |
| SCHEMBL24983940 | 0.69 | GABRA1 (0.36) | TSHRPTGS1MAPTCYP3A4TP53 |
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-2019196714-A1 | N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |