Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15769685 | 0.73 | ALDH1A1 (0.50) | KMT2AALDH1A1POLBTLR8ADRA2A | |
| SCHEMBL2936291 | 0.73 | ALDH1A1 (0.46) | KMT2AALDH1A1POLBTLR8ADRA2A | |
| SCHEMBL29610121 | 0.72 | RPS6KA5 (0.49) | — | |
| SCHEMBL486434 | 0.72 | — | — | |
| SCHEMBL14627758 | 0.71 | ESR1 (0.42) | KMT2AALDH1A1POLBADRA2AADRA2B | |
| SCHEMBL27306734 | 0.71 | ESR1 (0.42) | KMT2AALDH1A1POLBADRA2AADRA2B | |
| SCHEMBL2793396 | 0.71 | ESR1 (0.58) | KMT2AL3MBTL1NISCHHSD17B10TSHR | |
| Bromide SCHEMBL1237833 | 0.70 | — | — | |
| SCHEMBL16694203 | 0.70 | — | — | |
| Iodide SCHEMBL4268734 | 0.70 | — | — |
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-2012089969-A1 | 3,6-FUNCTIONALIZED 1,2,4,5-TETRAZINES, METHOD FOR PREPARATION, COMPOSITIONS COMPRISING SAME AND USE IN DETECTING ORGANIC POLLUTANTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) | 2012-07-05 | — | — | WO | disclosed |