Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2499410 | 0.84 | CA12 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8568920 | 0.84 | CA12 (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3239314 | 0.83 | OPRD1 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL12980325 | 0.81 | CA12 (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8571706 | 0.81 | CA12 (0.45) | CA12CA1CA2CA9CA14 | |
| SCHEMBL5244798 | 0.80 | CA12 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3643386 | 0.80 | CA12 (0.48) | CA12CA1CA2CA9CA14 | |
| SCHEMBL31037720 | 0.79 | CA12 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL8563494 | 0.77 | CA12 (0.41) | CA12CA1CA2CA9CA14 | |
| SCHEMBL11806942 | 0.76 | HRH3 (0.41) | ADRB2ADRB1ADRB3HRH3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0530579-B1 | Condensed pyrimidine derivatives antitumor agents | EISAI CO LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| 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-5688800-A | ANTITUMOR AGENTS | EISAI CO., LTD. (JP) | 1997-11-18 | — | — | US | disclosed |
| US-5554615-A | ANTITUMOR | EISAI CO., LTD. (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |