Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3360841 | 0.84 | TSHR (0.48) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL27913219 | 0.81 | TSHR (0.62) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL28449331 | 0.81 | TSHR (0.52) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL142522 | 0.81 | TSHR (0.55) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL709412 | 0.81 | TSHR (0.54) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL27800526 | 0.81 | TSHR (0.55) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL27800524 | 0.81 | TSHR (0.55) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL28072366 | 0.79 | TSHR (0.46) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL34661 | 0.79 | TSHR (0.63) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL29550542 | 0.79 | TSHR (0.63) | TSHRHPGDALDH1A1TP53HIF1A |
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-105801736-B | A kind of polyvinyl 3-triazole compounds and preparation method thereof | 陕西科技大学 | 2017-10-10 | — | — | CN | claimed |
| CN-105801736-B | A kind of polyvinyl 3-triazole compounds and preparation method thereof | 陕西科技大学 | 2017-10-10 | — | — | CN | disclosed |