Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569725 | 0.88 | ATR (0.41) | ATRCA12CA1CA2CA9 | |
| SCHEMBL8569719 | 0.87 | HSP90AA1 (0.37) | ATRCA12CA1CA2CA9 | |
| SCHEMBL2207108 | 0.78 | ATR (0.42) | ATRCA12CA1CA2CA9 | |
| SCHEMBL879382 | 0.78 | ATR (0.47) | ATRCA12CA1CA2CA9 | |
| SCHEMBL8568137 | 0.77 | ALDH1A1 (0.41) | ATRHSP90AA1HSP90AB1ALDH1A1KDM4E | |
| SCHEMBL13247607 | 0.77 | CA12 (0.43) | ATRCA12CA1CA2CA9 | |
| SCHEMBL31497650 | 0.75 | ATR (0.54) | ATRCA12CA1CA2CA9 | |
| SCHEMBL29561698 | 0.75 | ATR (0.45) | ATRHSP90AA1HSP90AB1PDK1PDK2 | |
| SCHEMBL22831937 | 0.75 | ATR (0.45) | ATRHSP90AA1HSP90AB1PDK1PDK2 | |
| SCHEMBL15440646 | 0.74 | ATR (0.44) | ATRCA12CA1CA2CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5739133-A | N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS | ZENECA LIMITED (GB) | 1998-04-14 | — | — | US | disclosed |
| US-5733910-A | Pyridazinedione compounds useful in the treating neurological disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1998-03-31 | — | — | US | disclosed |
| US-5604227-A | EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-02-18 | — | — | US | disclosed |
| US-5599814-A | SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1997-02-04 | — | — | US | disclosed |
| EP-0516297-B1 | Pyridazinediones and their use in the treatment of neurological disorders | ZENECA LTD (GB) | 1996-10-30 | — | — | EP | disclosed |
| EP-0516297-A1 | Pyridazinediones and their use in the treatment of neurological disorders | ZENECA LIMITED (GB) | 1992-12-02 | — | — | EP | disclosed |