Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 5/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4386500 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM1APTGS2MAOAMAOB | |
| SCHEMBL28887354 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM1APTGS2MAOAMAOB | |
| SCHEMBL4329150 | 0.78 | KDM1A (0.47) | KDM1AMAOAMAOBCHRM2CHRM4 | |
| SCHEMBL11424700 | 0.78 | MAOA (0.44) | KDM1AMAOAMAOBCHRM2CHRM4 | |
| SCHEMBL10515985 | 0.74 | CHRNA7 (0.44) | ALDH1A1KDM1APTGS2MAOAMAOB | |
| SCHEMBL5955814 | 0.73 | KDM1A (0.43) | ALDH1A1KDM1AMAOAMAOBCHRM2 | |
| SCHEMBL17660056 | 0.73 | KDM1A (0.43) | ALDH1A1KDM1AMAOAMAOBCHRM2 | |
| SCHEMBL3972334 | 0.73 | KDM1A (0.43) | ALDH1A1KDM1AMAOAMAOBCHRM2 | |
| SCHEMBL8993540 | 0.71 | PTGS2 (0.45) | ALDH1A1KDM1APTGS2MAOAMAOB | |
| SCHEMBL11003541 | 0.71 | PTGS2 (0.45) | ALDH1A1KDM1APTGS2MAOAMAOB |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111440155-B | Chrysamide B derivative with anti-tumor activity and preparation and application thereof | 兰州大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-111440155-A | Chrysamide B derivative with anti-tumor activity and preparation and application thereof | 兰州大学 | 2020-07-24 | — | — | CN | disclosed |
| CN-111004225-A | Novel piperazine compound and preparation method and application thereof | 兰州大学 | 2020-04-14 | — | — | CN | disclosed |
| US-20090099164-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | WYETH (US) | 2009-04-16 | — | — | US | disclosed |
| US-7517899-B2 | Phenylaminopropanol derivatives and methods of their use | WYETH (US) | 2009-04-14 | — | — | US | disclosed |
| US-20090093469-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | WYETH (US) | 2009-04-09 | — | — | US | disclosed |
| EP-1732887-B1 | 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) | WYETH CORP (US) | 2008-01-09 | — | — | EP | disclosed |
| US-20050222148-A1 | Phenylaminopropanol derivatives and methods of their use | WYETH (US) | 2005-10-06 | — | — | US | disclosed |
| US-5064944-A | Gas Chromatography | ADVANCED SEPARATION TECHNOLOGIES INC. (US) | 1991-11-12 | — | — | US | 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 (3 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-20090099164-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | PAH, PNMT, COMT | ALDH1A1 284/4885KDM1A 1217/4885PTGS2 527/4885 |
| US-20050222148-A1 | Phenylaminopropanol derivatives and methods of their use | PAH, PNMT, COMT | ALDH1A1 284/4885KDM1A 1217/4885PTGS2 527/4885 |
| US-20090093469-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | PAH, PNMT, COMT | ALDH1A1 284/4885KDM1A 1217/4885PTGS2 527/4885 |
“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.