Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | AMY1A | P0DUB6 | 5/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7341945 | 0.81 | ACHE (0.39) | ALOX5AMY1APGK1KDM4EALDH1A1 | |
| SCHEMBL9306380 | 0.80 | CYP3A4 (0.41) | ESR2ESR1CYP3A4MAPTPDE4A | |
| SCHEMBL7479166 | 0.78 | CYP3A4 (0.39) | ESR2ESR1CYP3A4MAPTPDE4A | |
| SCHEMBL9306565 | 0.73 | MAPT (0.41) | ESR2ESR1CYP3A4MAPTPTGS2 | |
| SCHEMBL941422 | 0.72 | KEAP1 (0.47) | MAPTAMY1AKDM4EALDH1A1LMNA | |
| SCHEMBL21723167 | 0.69 | MAPT (0.52) | ESR2ESR1CYP3A4MAPTPDE4A | |
| SCHEMBL1191538 | 0.68 | AMY1A (0.46) | MAPTAMY1APGK1KDM4EALDH1A1 | |
| SCHEMBL7345392 | 0.68 | PDE3B (0.42) | MAPTALOX5AMY1AKDM4EALDH1A1 | |
| SCHEMBL7344632 | 0.68 | PDE3B (0.39) | AMY1AKDM4EALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL27306098 | 0.68 | AMY1A (0.36) | MAPTAMY1APGK1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |