Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TLR4 | O00206 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PPM1B | O75688 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4548466 | 1.00 | ALDH1A1 (0.38) | ALDH1A1BRD4TLR4CYP1A2HIF1A | |
| SCHEMBL6922015 | 0.83 | TLR4 (0.47) | ALDH1A1BRD4TLR4CYP1A2HIF1A | |
| SCHEMBL3643881 | 0.82 | TLR4 (0.39) | ALDH1A1BRD4TLR4CYP1A2HIF1A | |
| SCHEMBL856267 | 0.82 | TLR4 (0.39) | ALDH1A1BRD4TLR4CYP1A2HIF1A | |
| SCHEMBL13036801 | 0.82 | TLR4 (0.39) | ALDH1A1BRD4TLR4CYP1A2HIF1A | |
| SCHEMBL20263548 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TLR4PPM1BPTPN1PPP1CC | |
| SCHEMBL29595708 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TLR4PPM1BPTPN1PPP1CC | |
| SCHEMBL127645 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TLR4PPM1BPTPN1PPP1CC | |
| SCHEMBL20263549 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TLR4PPM1BPTPN1PPP1CC | |
| SCHEMBL29595550 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TLR4PPM1BPTPN1PPP1CC |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10435645-B2 | Organoleptic compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2019-10-08 | — | — | US | disclosed |
| US-10435645-B2 | Organoleptic compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2019-10-08 | — | — | US | disclosed |
| EP-3339278-B1 | NOVEL ORGANOLEPTIC COMPOUNDS | INT FLAVORS & FRAGRANCES INC (US) | 2019-06-12 | — | — | EP | disclosed |
| EP-3339278-B1 | NOVEL ORGANOLEPTIC COMPOUNDS | INT FLAVORS & FRAGRANCES INC (US) | 2019-06-12 | — | — | EP | disclosed |
| EP-3339278-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | International Flavors & Fragrances Inc. (US) | 2018-06-27 | — | — | EP | disclosed |
| US-20180171263-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2018-06-21 | — | — | US | disclosed |
| US-20180171263-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2018-06-21 | — | — | US | disclosed |
| US-20180171263-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2018-06-21 | — | — | US | disclosed |
| US-20140349992-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2014-11-27 | — | — | US | disclosed |
| US-20140349992-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2014-11-27 | — | — | US | disclosed |
| US-8772301-B2 | Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof | SUNOVION PHARMACEUTICALS, INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-8772301-B2 | Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof | SUNOVION PHARMACEUTICALS, INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20110319380-A1 | Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110319380-A1 | Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2011-12-29 | — | — | US | disclosed |
| WO-2011075699-A2 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2011-06-23 | — | — | 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 (5 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-20110319380-A1 | Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof | GRM5, GRM2, GRM1 | ALDH1A1 1721/4885BRD4 802/4885TLR4 159/4885 |
| US-20180171263-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | TRPA1, TRPV1, TRPV5 | ALDH1A1 143/4885BRD4 187/4885TLR4 3544/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ALDH1A1 3533/4885BRD4 383/4885TLR4 695/4885 |
| US-10435645-B2 | Organoleptic compounds | TRPA1, TRPV1, TRPV5 | ALDH1A1 141/4885BRD4 359/4885TLR4 3508/4885 |
| US-20140349992-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | GRM5, GRM2, GRM1 | ALDH1A1 1721/4885BRD4 802/4885TLR4 159/4885 |
“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.