Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL2516413 | 0.84 | CYP1A2 (0.43) | CA2CHKAASIC3NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL27685777 | 0.82 | CYP1A2 (0.42) | CA2CHKAASIC3NOS3NOS1 | |
| SCHEMBL19710953 | 0.80 | CA2 (0.42) | CA2CHKAASIC3NOS3NOS1 | |
| Trimethylammonium SCHEMBL27685780 | 0.78 | CA2 (0.46) | CA2CHKAASIC3NOS3NOS1 | |
| SCHEMBL19679371 | 0.77 | CA2 (0.39) | CA2CHKAASIC3NOS3NOS1 | |
| SCHEMBL30579424 | 0.77 | HRH4 (0.40) | CA2CHKAASIC3NOS3NOS1 | |
| SCHEMBL16091182 | 0.77 | KMT2A (0.38) | CA2CHKAASIC3NOS3NOS1 | |
| SCHEMBL9685872 | 0.76 | NPC1 (0.39) | KDM4EMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL10188251 | 0.74 | HCAR3 (0.38) | CA2CHKAASIC3NOS3NOS1 | |
| SCHEMBL16840930 | 0.72 | POLB (0.46) | CA2CHKAKDM4EBRAFALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000382-B1 | PYRIMIDO (4,5-C)PYRIDAZINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-10-06 | — | — | EP | disclosed |