Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 9/20 | 0.74 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836971 | 0.92 | S1PR3 (0.76) | S1PR3PDE10AMAPT | |
| SCHEMBL803396 | 0.85 | S1PR3 (1.00) | S1PR3CNR1PDE10A | |
| SCHEMBL802991 | 0.85 | S1PR3 (0.86) | S1PR3CNR1PDE10ALTB4R | |
| SCHEMBL2834033 | 0.81 | S1PR3 (0.76) | S1PR3PDE10A | |
| SCHEMBL803571 | 0.78 | S1PR3 (1.00) | S1PR3PDE10AMAPT | |
| SCHEMBL802972 | 0.76 | S1PR3 (0.85) | S1PR3PDE10A | |
| SCHEMBL2836970 | 0.72 | S1PR3 (0.78) | S1PR3PDE10A | |
| SCHEMBL2834796 | 0.71 | S1PR3 (0.67) | S1PR3 | |
| SCHEMBL2829623 | 0.70 | S1PR3 (0.57) | S1PR3PDE10A | |
| SCHEMBL14272876 | 0.68 | S1PR3 (0.69) | S1PR3CNR1 |
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-7728014-B2 | Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity | ALLERGAN, INC. | 2010-06-01 | — | — | US | disclosed |
| EP-2066633-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-10 | — | — | EP | disclosed |
| EP-2064183-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030843-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008030838-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| US-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. | 2008-03-13 | — | — | 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-20080064872-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | S1PR4, S1PR3, S1PR1 | S1PR3 2/4885CNR1 6/4885PDE10A 1343/4885 |
“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.