Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 14/20 | 0.60 |
| ▸ | HTR2A | P28223 | 3/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD5 | P21918 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4409416 | 0.97 | TAAR1 (0.58) | TAAR1HTR2AIDO1CYP2A6LOXL2 | |
| SCHEMBL6911666 | 0.84 | TAAR1 (0.50) | TAAR1HTR2AIDO1CYP2A6LOXL2 | |
| SCHEMBL6907499 | 0.84 | TAAR1 (0.50) | TAAR1HTR2ACYP2A6HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL29548682 | 0.82 | TAAR1 (0.48) | TAAR1HTR2AIDO1CYP2A6HTR2C | |
| Hydrochloric Acid SCHEMBL6913336 | 0.82 | TAAR1 (0.48) | TAAR1HTR2AIDO1CYP2A6HTR2C | |
| SCHEMBL1765119 | 0.79 | IDO1 (0.52) | TAAR1HTR2AIDO1LOXL2PNMT | |
| SCHEMBL2424239 | 0.79 | TAAR1 (0.55) | TAAR1HTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL64200 | 0.78 | TAAR1 (0.53) | TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2 | |
| SCHEMBL149692 | 0.78 | IDO1 (0.41) | TAAR1HTR2AIDO1 | |
| SCHEMBL92637 | 0.77 | TAAR1 (0.58) | TAAR1HTR2ACYP2A6LOXL2SMN1; SMN2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022184152-A1 | FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-09-09 | — | — | WO | disclosed |
| US-20150072997-A1 | ANTI-MALARIAL COMPOUNDS | POLYMEDIX, INC. | 2015-03-12 | — | — | US | disclosed |
| US-20150072997-A1 | ANTI-MALARIAL COMPOUNDS | POLYMEDIX, INC. | 2015-03-12 | — | — | US | disclosed |
| US-8796275-B2 | Anti-malarial compounds | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2014-08-05 | — | — | US | disclosed |
| US-8796275-B2 | Anti-malarial compounds | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2014-08-05 | — | — | US | disclosed |
| US-20100081665-A1 | Anti-Malarial Compounds | CELLCEUTIX CORPORATION | 2010-04-01 | — | — | US | disclosed |
| US-20100081665-A1 | Anti-Malarial Compounds | CELLCEUTIX CORPORATION | 2010-04-01 | — | — | US | disclosed |
| EP-1517894-B1 | N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS | GLAXO GROUP LTD (GB) | 2006-09-06 | — | — | EP | disclosed |
| US-20060058348-A1 | N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | US | disclosed |
| EP-1517894-A1 | N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-03-30 | — | — | EP | disclosed |
| EP-1112998-B1 | AMINE DERIVATIVES | POLA CHEM IND INC (JP) | 2004-12-08 | — | — | EP | disclosed |
| WO-2004005255-A1 | N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-01-15 | — | — | WO | disclosed |
| US-6586633-B1 | Antifungal agents | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1112998-A1 | AMINE DERIVATIVES | POLA CHEMICAL INDUSTRIES, INC. (JP) | 2001-07-04 | — | — | EP | 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-20060058348-A1 | N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors | HTR7, OPRL1, HCRTR1 | TAAR1 72/4885HTR2A 63/4885IDO1 252/4885 |
| US-20100081665-A1 | Anti-Malarial Compounds | AADAC, ME2, HTRA2 | TAAR1 3166/4885HTR2A 1305/4885IDO1 1158/4885 |
| US-20150072997-A1 | ANTI-MALARIAL COMPOUNDS | AADAC, ME2, HTRA2 | TAAR1 3166/4885HTR2A 1305/4885IDO1 1158/4885 |
“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.