Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25025036 | 0.86 | EGLN2 (0.41) | TAS1R3TAS1R1TAS1R2ALDH1A1GAA | |
| SCHEMBL8571236 | 0.85 | CA12 (0.43) | ATRCA12CA1CA9MEN1 | |
| SCHEMBL282268 | 0.83 | DHODH (0.45) | ALDH1A1GAAKDM4EATRCA12 | |
| SCHEMBL24449312 | 0.83 | CA12 (0.45) | ATRCA12CA1CA9MEN1 | |
| SCHEMBL6814997 | 0.83 | KMT2A (0.45) | ALDH1A1GAAKDM4EATRCA12 | |
| SCHEMBL6819472 | 0.83 | LMNA (0.46) | KDM4EATRLMNAKMT2ACYP17A1 | |
| SCHEMBL879382 | 0.83 | ATR (0.47) | ALDH1A1GAAKDM4EATRCA12 | |
| SCHEMBL4213410 | 0.82 | MAPKAPK2 (0.43) | ATRCA12CA1CA9MEN1 | |
| SCHEMBL2960138 | 0.82 | CA12 (0.41) | ATRCA12CA1CA9POLB | |
| SCHEMBL14494975 | 0.82 | ALDH1A1 (0.51) | ALDH1A1GAAPOLBABCB1MEN1 |
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 |