Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21872092 | 0.98 | APP (0.43) | APPPTGS1PTGS2MGLLACMSD | |
| SCHEMBL21872202 | 0.98 | APP (0.43) | APPPTGS1PTGS2MGLLACMSD | |
| SCHEMBL21872033 | 0.98 | APP (0.43) | APPPTGS1PTGS2MGLLACMSD | |
| SCHEMBL15028921 | 0.93 | MGLL (0.40) | APPPTGS1PTGS2MGLLIDH1 | |
| SCHEMBL29611795 | 0.85 | ESR2 (0.44) | APPPTGS1PTGS2MGLLIDH1 | |
| SCHEMBL26923110 | 0.85 | ESR2 (0.44) | APPPTGS1PTGS2MGLLIDH1 | |
| SCHEMBL20269781 | 0.80 | ACMSD (0.34) | APPACMSDIDH1BACE1GRIA4 | |
| SCHEMBL27358303 | 0.79 | TLR8 (0.48) | — | |
| SCHEMBL21831890 | 0.79 | IDH1 (0.37) | APPPTGS1PTGS2MGLLIDH1 | |
| SCHEMBL30910925 | 0.79 | PDE2A (0.38) | APPPTGS1PTGS2MGLLIDH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7659294-B2 | 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists | MERCK & CO., INC. (US) | 2010-02-09 | — | — | US | disclosed |
| US-20090042954-A1 | 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2009-02-12 | — | — | US | 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-20090042954-A1 | 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists | S1PR1, S1PR3, S1PR5 | APP 4162/4885PTGS1 156/4885PTGS2 540/4885 |
“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.