Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 3/20 | 0.34 |
| ▸ | CASP7 | P55210 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | LYN | P07948 | 6/20 | 0.33 |
| ▸ | SRC | P12931 | 4/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | ATAD2 | Q6PL18 | 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 | |
|---|---|---|---|---|
| SCHEMBL11087355 | 0.75 | ALDH1A1 (0.37) | CYP1A2ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL11084988 | 0.65 | ALDH1A1 (0.46) | CYP1A2ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL11084986 | 0.65 | ALDH1A1 (0.46) | CYP1A2ALDH1A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL11270993 | 0.59 | KDM4E (0.47) | ALDH1A1HSD17B10MAPK1ALOX15BRD4 | |
| SCHEMBL11096181 | 0.56 | ALDH1A1 (0.54) | CYP1A2ALDH1A1CYP2C9CYP2C19HPGD | |
| SCHEMBL29126016 | 0.56 | BRD9 (0.51) | CYP1A2ALDH1A1TSHRCYP3A4BRD4 | |
| SCHEMBL2834048 | 0.55 | GABRA1 (0.44) | CYP1A2ALDH1A1CYP2C19HPGDHSD17B10 | |
| SCHEMBL11088686 | 0.54 | ADORA2A (0.38) | ALDH1A1HPGDHSD17B10MAPK1CASP1 | |
| SCHEMBL11177118 | 0.54 | ALDH1A1 (0.61) | CYP1A2ALDH1A1HPGDHSD17B10MAPK1 | |
| SCHEMBL11575773 | 0.52 | KDM4E (0.54) | ALDH1A1HSD17B10MAPK1GLAHRH3 |
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-4456752-A | REACTING A HYDRAZINE WITH DIHALOGEN SUBSTITUTED PYRIDO(1,2-A)PYRIMIDINE | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1984-06-26 | — | — | US | disclosed |