Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 10/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3210076 | 0.78 | TSHR (0.50) | TSHRHSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL28153047 | 0.73 | HSD17B10 (0.52) | TSHRHSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL3212678 | 0.73 | HSD17B10 (0.50) | TSHRHSD17B10HPGDALDH1A1HSP90AA1 | |
| SCHEMBL11441737 | 0.73 | ALDH1A1 (0.50) | TSHRHSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL13032567 | 0.70 | TSHR (0.44) | TSHRHSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL12623251 | 0.70 | ACHE (0.52) | TSHRHSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL939505 | 0.70 | HPGD (0.38) | TSHRHSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL10666560 | 0.70 | TYR (0.36) | TSHRHSD17B10HPGDALDH1A1NR1H4 | |
| SCHEMBL17827205 | 0.69 | ALDH1A1 (0.40) | TSHRHSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL11506834 | 0.69 | ALDH1A1 (0.50) | TSHRHSD17B10HPGDALDH1A1CYP3A4 |
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-106831614-B | Substituted benzodiazacyclo compound and its preparation method and use | 清华大学 | 2020-07-28 | — | — | CN | disclosed |
| CN-106831614-A | Substituted benzodiazepine * heterocycle compound and its production and use | 清华大学 | 2017-06-13 | — | — | CN | disclosed |