Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | USP8 | P40818 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4053682 | 0.83 | CYP2A6 (0.49) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL11254410 | 0.82 | BRD4 (0.49) | CA12CA1CA2CA9BRD4 | |
| SCHEMBL2689845 | 0.79 | CYP2A6 (0.54) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL4061767 | 0.79 | CYP2A6 (0.50) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12279439 | 0.79 | CYP2A6 (0.54) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL28574445 | 0.78 | CYP2A6 (0.53) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL12744778 | 0.78 | CYP2A6 (0.53) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL15006818 | 0.75 | CYP2A6 (0.50) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL2691331 | 0.75 | CYP2A6 (0.50) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL17980254 | 0.75 | MAPT (0.55) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 |
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-4337253-A | 4,5-Dihydro-2-methyl-6-(4-pyridinyl)-3(2H)-pyridazinone and its use as a cardiotonic | STERLING DRUG INC. (US) | 1982-06-29 | — | — | US | disclosed |