Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11399242 | 0.83 | NQO1 (0.48) | NQO1LMNATSHRTDP1TP53 | |
| SCHEMBL20607929 | 0.83 | NQO1 (0.34) | NQO1LMNATSHRHSD17B10 | |
| SCHEMBL28320576 | 0.82 | LMNA (0.54) | NQO1LMNATSHRHSD17B10THRB | |
| SCHEMBL7683218 | 0.79 | TSHR (0.46) | NQO1LMNATSHRTDP1TP53 | |
| SCHEMBL9172372 | 0.79 | NQO1 (0.44) | NQO1LMNATSHRTDP1TP53 | |
| SCHEMBL9172376 | 0.79 | NQO1 (0.44) | NQO1LMNATSHRTDP1TP53 | |
| SCHEMBL4889777 | 0.77 | NQO1 (0.42) | NQO1LMNATSHRTDP1TP53 | |
| SCHEMBL25523180 | 0.77 | NCOA1 (0.44) | NQO1LMNAHSD17B10CA2THRB | |
| SCHEMBL4933433 | 0.77 | THRA (0.44) | THRBHPGD | |
| SCHEMBL22780338 | 0.76 | ALDH1A1 (0.53) | NQO1LMNATSHRTDP1TP53 |
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-105408325-A | Cyanotriazole compounds | OTSUKA PHARMA CO LTD | 2016-03-16 | — | — | CN | disclosed |