Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 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 | |
|---|---|---|---|---|
| SCHEMBL2246781 | 0.82 | GPR35 (0.42) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| SCHEMBL2242996 | 0.80 | CHRNB2 (0.35) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| SCHEMBL12716705 | 0.80 | CHRNB2 (0.39) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| SCHEMBL1415461 | 0.78 | MTNR1A (0.47) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL4418079 | 0.73 | MAPT (0.45) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| SCHEMBL5916971 | 0.73 | GPR35 (0.46) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| SCHEMBL11444096 | 0.73 | TDP1 (0.42) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| SCHEMBL12355694 | 0.73 | PNMT (0.57) | FYNADRA2C | |
| SCHEMBL7909196 | 0.73 | ACHE (0.42) | CHRNB2CHRNA4TDP1ALDH1A1MAPT | |
| SCHEMBL7517485 | 0.72 | TDP1 (0.41) | CHRNB2CHRNA4TDP1ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7989451-B2 | Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-08-02 | — | — | US | disclosed |