Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4948108 | 0.98 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL23014997 | 0.98 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL487310 | 0.94 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL18452361 | 0.89 | KDM4E (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9671501 | 0.87 | KDM4E (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL18453785 | 0.87 | KDM4E (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL14251994 | 0.85 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL5808117 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL23015036 | 0.84 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL17911731 | 0.84 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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 4 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 |
| 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 (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-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 | CYP1A2 2411/4885CYP3A4 2522/4885CYP2C9 3206/4885 |
“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.