Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 4/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.41 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | PDE1A | P54750 | 1/20 | 0.40 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413349 | 1.00 | NR1H4 (0.48) | NR1H4NPC1RAB9ATBXA2RPTGER1 | |
| SCHEMBL3416959 | 0.93 | NR1H4 (0.46) | NR1H4NPC1RAB9ATBXA2RPTGER1 | |
| SCHEMBL3416957 | 0.93 | NR1H4 (0.46) | NR1H4NPC1RAB9ATBXA2RPTGER1 | |
| SCHEMBL3418794 | 0.88 | PPARG (0.47) | NR1H4TBXA2RPPARGPPARAPTPN11 | |
| SCHEMBL3418793 | 0.88 | PPARG (0.47) | NR1H4TBXA2RPPARGPPARAPTPN11 | |
| SCHEMBL3414279 | 0.85 | NPC1 (0.64) | NPC1RAB9APPARGPPARAS1PR1 | |
| SCHEMBL3414272 | 0.85 | NPC1 (0.64) | NPC1RAB9APPARGPPARAS1PR1 | |
| SCHEMBL3416830 | 0.84 | RXRA (0.46) | NR1H4TBXA2RPPARAPTPN11PTGDR2 | |
| SCHEMBL3416833 | 0.84 | RXRA (0.46) | NR1H4TBXA2RPPARAPTPN11PTGDR2 | |
| SCHEMBL3413362 | 0.81 | NR1H4 (0.54) | NR1H4PTPN11GAAENPP2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765950-B2 | Reagents for biomolecular labeling, detection and quantification employing raman spectroscopy | PURDUE RESEARCH FOUNDATION (US) | 2014-07-01 | — | — | US | disclosed |
| US-7687664-B2 | Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-7687664-B2 | Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-7687664-B2 | Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-20040214888-A1 | Carboxylic acid derivative and medicine comprising salt or ester of the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-10-28 | — | — | US | disclosed |
| EP-1394147-A1 | CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME | Eisai Co., Ltd. (JP) | 2004-03-03 | — | — | 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 (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-20040214888-A1 | Carboxylic acid derivative and medicine comprising salt or ester of the same | GPR119, NR3C1, INSR | NR1H4 85/4885NPC1 424/4885RAB9A 3699/4885 |
“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.