Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.40 |
| ▸ | GCGR | P47871 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 4/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 4/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 4/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2830330 | 0.87 | S1PR3 (0.54) | S1PR3RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL2831010 | 0.77 | S1PR3 (0.53) | S1PR3RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL2834841 | 0.75 | S1PR3 (0.55) | S1PR3RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL2832834 | 0.74 | S1PR3 (0.51) | S1PR3ALDH1A1MAPK14 | |
| SCHEMBL2830315 | 0.72 | CCR1 (0.42) | S1PR3RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL5365268 | 0.72 | MAPT (0.51) | RAB9ASMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL805684 | 0.71 | S1PR3 (1.00) | S1PR3RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL8239917 | 0.71 | MAPT (0.59) | RAB9ASMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL2835431 | 0.71 | TDP1 (0.49) | S1PR3RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL36127 | 0.70 | RARB (0.39) | S1PR3RAB9ASMN1; SMN2LMNAMAPT |
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 2/4885RAB9A 3033/4885SMN1; SMN2 2848/4885 |
“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.