Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.60 |
| ▸ | CES1 | P23141 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10981500 | 0.79 | CES2 (0.60) | CES2CES1CA1CA2SMN1; SMN2 | |
| SCHEMBL7790426 | 0.78 | CES2 (0.56) | CES2CES1TSHRL3MBTL1LMNA | |
| SCHEMBL17485943 | 0.78 | CES2 (0.56) | CES2CES1TSHRL3MBTL1LMNA | |
| SCHEMBL10131971 | 0.78 | CES2 (0.58) | CES2CES1ALOX15TSHRL3MBTL1 | |
| SCHEMBL10131977 | 0.78 | CES2 (0.58) | CES2CES1ALOX15TSHRL3MBTL1 | |
| SCHEMBL273857 | 0.77 | CES2 (1.00) | CES2CES1ALOX15TSHRL3MBTL1 | |
| SCHEMBL7929793 | 0.75 | CES2 (0.50) | CES2CES1LMNASMN1; SMN2NPC1 | |
| SCHEMBL10818628 | 0.73 | CES2 (0.47) | CES2CES1ALOX15TSHRL3MBTL1 | |
| SCHEMBL3658715 | 0.73 | CES2 (0.71) | CES2CES1ALOX15TSHRL3MBTL1 | |
| SCHEMBL29025701 | 0.72 | CES2 (0.79) | CES2CES1ALOX15TSHRL3MBTL1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4286091-A | CYCLIZATION OF A CORRESPONDING HYDRAZONE | DIAMOND SHAMROCK CORPORATION (US) | 1981-08-25 | — | — | US | claimed |
| US-4281125-A | CYCLIZATION | DIAMOND SHAMROCK CORPORATION (US) | 1981-07-28 | — | — | US | claimed |
| EP-0088128-A4 | ANTIINFLAMMATORY AND ANALGETIC 4-PYRIDYLPYRIDAZIN(2H)-3-ONES. | DIAMOND SHAMROCK CORP (US) | 1984-04-06 | — | — | EP | disclosed |
| EP-0088128-A1 | ANTIINFLAMMATORY AND ANALGETIC 4-PYRIDYLPYRIDAZIN(2H)-3-ONES | DIAMOND SHAMROCK CORPORATION (US) | 1983-09-14 | — | — | EP | disclosed |
| WO-1983000863-A1 | ANTIINFLAMMATORY AND ANALGETIC 4-PYRIDYLPYRIDAZIN(2H)-3-ONES | DIAMOND SHAMROCK CORP (US) | 1983-03-17 | — | — | WO | disclosed |
| EP-0018063-B1 | PYRIDAZIN (2H)-3-ONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN ANTIHYPERTENSIVE AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1983-02-23 | — | — | EP | disclosed |
| US-4286091-A | CYCLIZATION OF A CORRESPONDING HYDRAZONE | DIAMOND SHAMROCK CORPORATION (US) | 1981-08-25 | — | — | US | disclosed |
| US-4286091-A | CYCLIZATION OF A CORRESPONDING HYDRAZONE | DIAMOND SHAMROCK CORPORATION (US) | 1981-08-25 | — | — | US | disclosed |
| US-4281125-A | CYCLIZATION | DIAMOND SHAMROCK CORPORATION (US) | 1981-07-28 | — | — | US | disclosed |
| US-4281125-A | CYCLIZATION | DIAMOND SHAMROCK CORPORATION (US) | 1981-07-28 | — | — | US | disclosed |
| EP-0018063-A1 | Pyridazin (2H)-3-ones, process for their preparation and their use in antihypertensive agents | DIAMOND SHAMROCK CORPORATION (US) | 1980-10-29 | — | — | EP | disclosed |