Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 6/20 | 0.41 |
| ▸ | ECE1 | P42892 | 6/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15022608 | 0.89 | KDM4E (0.57) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL4637635 | 0.85 | KDM4E (0.41) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL2163949 | 0.83 | MME (0.43) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL29633563 | 0.83 | MME (0.43) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL23908785 | 0.76 | CYP3A4 (0.77) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL19302890 | 0.76 | ALDH1A1 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL18917798 | 0.76 | ALDH1A1 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL30727473 | 0.76 | CYP3A4 (0.77) | KDM4EALDH1A1CYP1A2CYP3A4MAPT | |
| SCHEMBL5392887 | 0.75 | MME (0.40) | HCAR2MMEECE1GRM5PTGDR2 | |
| SCHEMBL17771436 | 0.75 | GRM5 (0.42) | HCAR2MMEECE1GRM5PTGDR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7759370-B2 | Sphingosine-1-phosphate (SIP) receptor agonists | Praecis Pharmaceuticals (US) | 2010-07-20 | — | — | US | disclosed |
| US-20100009936-A1 | CHEMICAL COMPOUNDS | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | US | disclosed |
| EP-2046746-A2 | CHEMICAL COMPOUNDS | Praecis Pharmaceuticals Incorporated (US) | 2009-04-15 | — | — | EP | disclosed |
| US-20080096938-A1 | Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2008-04-24 | — | — | US | disclosed |
| WO-2008016692-A2 | CHEMICAL COMPOUNDS | PRAECIS PHARMACEUTICALS INCORPORATED (US) | 2008-02-07 | — | — | 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 (2 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-20080096938-A1 | Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example | S1PR1, S1PR2, S1PR5 | KDM4E 1586/4885ALDH1A1 2402/4885CYP1A2 2411/4885 |
| US-20100009936-A1 | CHEMICAL COMPOUNDS | CD4, ICOS, NFATC1 | KDM4E 3445/4885ALDH1A1 1132/4885CYP1A2 2342/4885 |
“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.