Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.50 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8378855 | 0.87 | CES2 (0.62) | CES2CES1ALDH1A1KMT2AALOX15 | |
| SCHEMBL2778 | 0.85 | TSHR (0.52) | ALDH1A1ITGB1ITGA5ALOX15NPC1 | |
| SCHEMBL30084385 | 0.85 | TSHR (0.52) | ALDH1A1ITGB1ITGA5ALOX15NPC1 | |
| SCHEMBL28206063 | 0.83 | TSHR (0.50) | ALDH1A1ITGB1ITGA5ALOX15NPC1 | |
| SCHEMBL27931437 | 0.83 | TSHR (0.50) | ALDH1A1ITGB1ITGA5ALOX15NPC1 | |
| SCHEMBL1896602 | 0.83 | TSHR (0.50) | ALDH1A1ITGB1ITGA5ALOX15NPC1 | |
| Acetone SCHEMBL29281281 | 0.83 | TSHR (0.50) | ALDH1A1ITGB1ITGA5ALOX15NPC1 | |
| SCHEMBL6383298 | 0.83 | TSHR (0.50) | ALDH1A1ITGB1ITGA5ALOX15NPC1 | |
| Acetic Acid SCHEMBL28536661 | 0.81 | TSHR (0.48) | ALDH1A1ITGB1ITGA5ALOX15CYP1A2 | |
| SCHEMBL27885277 | 0.81 | CES2 (0.50) | CES2CES1ALDH1A1KMT2AALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107677735-A | A kind of HPLC analysis methods of (S) 2 aminopropanol | 上海朴颐化学科技有限公司 | 2018-02-09 | — | — | CN | claimed |
| US-20060111369-A1 | Synthesis, characterization and biological action of optically active isomers of floxacins | SOMBERG JOHN C | 2006-05-25 | — | — | US | claimed |
| WO-2006052264-A2 | SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL ACTION OF OPTICALLY ACTIVE ISOMERS OF FLOXACINS | SOMBERG JOHN CHARIN (US) | 2006-05-18 | — | — | WO | claimed |
| CN-114555604-A | Pharmaceutical compounds | 瑞威有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-110552018-B | Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization | 广西师范大学 | 2021-03-05 | — | — | CN | disclosed |
| CN-107548397-B | Kv1.3 inhibitors and medical uses thereof | 4SC股份公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-107548396-B | Kv1.3 inhibitors and medical uses thereof | 4SC股份公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-110552018-A | Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization | UNIV GUANGXI NORMAL | 2019-12-10 | — | — | CN | disclosed |
| CN-107677735-A | A kind of HPLC analysis methods of (S) 2 aminopropanol | 上海朴颐化学科技有限公司 | 2018-02-09 | — | — | CN | disclosed |
| US-20060111369-A1 | Synthesis, characterization and biological action of optically active isomers of floxacins | SOMBERG JOHN C | 2006-05-25 | — | — | US | disclosed |
| WO-2006052264-A2 | SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL ACTION OF OPTICALLY ACTIVE ISOMERS OF FLOXACINS | SOMBERG JOHN CHARIN (US) | 2006-05-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060111369-A1 | Synthesis, characterization and biological action of optically active isomers of floxacins | TNNI3, TNNC1, TNNT2 | CES2 2909/4885CES1 1987/4885ALDH1A1 1400/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.