Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | ESRRB | O95718 | 1/20 | 0.43 |
| ▸ | ESRRA | P11474 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL17867146 | 0.88 | PTPN1 (0.48) | PTPN1MAOBESR1CYP19A1ALDH1A1 | |
| (3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL572272 | 0.85 | PTPN1 (0.61) | PTPN1MAOBKITESRRBESRRA | |
| (3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL17963716 | 0.85 | PTPN1 (0.61) | PTPN1MAOBKITESRRBESRRA | |
| (3R)-4'-Methoxy-2',3',7-Trihydroxyisoflavanone SCHEMBL30217561 | 0.85 | PTPN1 (0.61) | PTPN1MAOBKITESRRBESRRA | |
| SCHEMBL28557922 | 0.80 | MAOB (0.46) | PTPN1MAOBKITESRRBESRRA | |
| SCHEMBL30543094 | 0.78 | CYP19A1 (0.46) | PTPN1MAOBCYP19A1ALDH1A1KMT2A | |
| SCHEMBL29224820 | 0.77 | KIT (0.46) | PTPN1MAOBKITESR1CYP19A1 | |
| SCHEMBL28316491 | 0.75 | PTPN1 (0.48) | PTPN1MAOBKITCYP19A1ALDH1A1 | |
| SCHEMBL5855991 | 0.74 | CYP19A1 (0.47) | MAOBCYP19A1ALDH1A1LMNACA1 | |
| SCHEMBL5855134 | 0.73 | KDM4E (0.46) | PTPN1MAOBESR1CYP19A1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116990401-A | Method for analyzing three-white soup ingredients by using ultrahigh resolution liquid chromatography-mass spectrometry technology | 安徽中医药大学 | 2023-11-03 | — | — | CN | disclosed |