Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4085701 | 1.00 | ALDH1A1 (0.57) | ALDH1A1CYP3A4RECQLNFE2L2GRIN1 | |
| SCHEMBL15260940 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2TRPA1 | |
| SCHEMBL2455679 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2PTGS2 | |
| SCHEMBL4910745 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2RAB9A | |
| SCHEMBL3861317 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2RAB9A | |
| SCHEMBL2455685 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2PTGS2 | |
| SCHEMBL15229162 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2TRPA1 | |
| SCHEMBL18191209 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2TUBB1 | |
| SCHEMBL18191210 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2TUBB1 | |
| SCHEMBL4953116 | 0.79 | NFE2L2 (0.52) | ALDH1A1CYP3A4RECQLNFE2L2GRIN1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1732887-A1 | 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 (US) | 2006-12-20 | — | — | EP | disclosed |
| US-7105509-B2 | Benzodiazepine derivatives as APP modulators | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |
| WO-2005097744-A1 | 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 (US) | 2005-10-20 | — | — | WO | disclosed |
| US-20050222148-A1 | Phenylaminopropanol derivatives and methods of their use | WYETH (US) | 2005-10-06 | — | — | US | disclosed |
| US-20040082572-A1 | Benzodiazepine derivatives as app modulators | MERCK SHARPE & DOHME LIMITED (GB) | 2004-04-29 | — | — | US | disclosed |
| EP-1294702-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001090084-A1 | BENZODIAZEPINE DERIVATIVES AS APP MODULATORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-29 | — | — | 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 (4 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 284/4885CYP3A4 943/4885RECQL 1417/4885 |
| US-20040082572-A1 | Benzodiazepine derivatives as app modulators | BACE1, PSEN1, APP | ALDH1A1 760/4885CYP3A4 212/4885RECQL 4145/4885 |
| US-20050222148-A1 | Phenylaminopropanol derivatives and methods of their use | PAH, PNMT, COMT | ALDH1A1 284/4885CYP3A4 943/4885RECQL 1417/4885 |
| US-20090093469-A1 | Phenylaminopropanol Derivatives and Methods of Their Use | PAH, PNMT, COMT | ALDH1A1 284/4885CYP3A4 943/4885RECQL 1417/4885 |
“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.