Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.57 |
| ▸ | TP53 | P04637 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | STAT1 | P42224 | 1/20 | 0.57 |
| ▸ | USP2 | O75604 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4027686 | 0.98 | CHKA (0.57) | CHKAALDH1A1HSD17B10TP53HPGD | |
| Fluoride SCHEMBL27569609 | 0.96 | CHKA (0.56) | CHKAALDH1A1HSD17B10TP53HPGD | |
| Fluoride SCHEMBL27569600 | 0.93 | CHKA (0.53) | CHKAALDH1A1HSD17B10TP53HPGD | |
| SCHEMBL17857889 | 0.92 | HTR1A (0.53) | CHKAALDH1A1HSD17B10TP53HPGD | |
| SCHEMBL31403228 | 0.91 | ALDH1A1 (0.56) | CHKAALDH1A1HSD17B10TP53HPGD | |
| SCHEMBL11548897 | 0.90 | ALDH1A1 (0.58) | CHKAALDH1A1HSD17B10TP53HPGD | |
| Fluoride SCHEMBL27569822 | 0.88 | MEN1 (0.56) | CHKAALDH1A1HSD17B10TP53HPGD | |
| SCHEMBL31013493 | 0.87 | ALDH1A1 (0.62) | CHKAALDH1A1HSD17B10TP53HPGD | |
| SCHEMBL18228234 | 0.85 | L3MBTL1 (0.61) | CHKAALDH1A1HSD17B10TP53HPGD | |
| SCHEMBL12485 | 0.85 | L3MBTL1 (0.61) | CHKAALDH1A1HSD17B10TP53HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115010641-A | Beta-substituted pyrrole derivative, preparation method and application thereof | 青岛农业大学 | 2022-09-06 | — | — | CN | claimed |
| CN-115010641-B | Beta-substituted pyrrole derivative, preparation method and application thereof | 青岛农业大学 | 2023-04-11 | — | — | CN | disclosed |
| CN-115010641-A | Beta-substituted pyrrole derivative, preparation method and application thereof | 青岛农业大学 | 2022-09-06 | — | — | CN | disclosed |
| EP-1124797-B1 | N-ARYLSULFONYL AMINO ACID OMEGA AMIDES | AVENTIS PHARMA GMBH (DE) | 2004-03-03 | — | — | EP | disclosed |
| US-6335333-B1 | MATRIX METALLOPROTEINASE INHIBITORS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-01-01 | — | — | US | disclosed |
| EP-1124797-A1 | N-ARYLSULFONYL AMINO ACID OMEGA AMIDES | Aventis Pharma Deutschland GmbH (DE) | 2001-08-22 | — | — | EP | disclosed |
| US-6201130-B1 | FOR THE THERAPY AND PROPHYLAXIS OF DISORDERS INVOLVING MATRIX-DEGRADING METALLOPROTEINASES; ANTIINFLAMMATORY AGENTS | AVENTIS PHARMA DUETSCHLAND GMBH (DE) | 2001-03-13 | — | — | US | disclosed |
| WO-2000027808-A1 | N-ARYLSULFONYL AMINO ACID OMEGA AMIDES | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-05-18 | — | — | WO | disclosed |