Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.49 |
| ▸ | RXRB | P28702 | 1/20 | 0.49 |
| ▸ | RXRG | P48443 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30597890 | 1.00 | RXRA (0.49) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL8515160 | 0.84 | PTGDR2 (0.51) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL8510980 | 0.81 | PTGDR2 (0.42) | RXRARXRBRXRGALDH1A1LMNA | |
| SCHEMBL22621594 | 0.80 | RXRA (0.50) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL12002404 | 0.80 | RXRA (0.50) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL29427047 | 0.79 | S1PR4 (0.44) | S1PR4ALDH1A1SMN1; SMN2KDM1AS1PR1 | |
| SCHEMBL2273425 | 0.79 | S1PR4 (0.44) | S1PR4ALDH1A1SMN1; SMN2KDM1AS1PR1 | |
| SCHEMBL11338379 | 0.79 | GAA (0.50) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL13678314 | 0.79 | RXRA (0.49) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL16962061 | 0.79 | RXRA (0.49) | RXRARXRBRXRGCTSSCTSK |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116693414-A | Compound with 3CL protease inhibition activity and application thereof | 深圳市小分子新药创新中心有限公司 | 2023-09-05 | — | — | CN | disclosed |
| EP-2563785-A1 | COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS | Glaxo Group Limited (GB) | 2013-03-06 | — | — | EP | disclosed |
| US-8389508-B2 | Heterocyclic compounds | GLAXO GROUP LIMITED (GB) | 2013-03-05 | — | — | US | disclosed |
| US-8389508-B2 | Heterocyclic compounds | GLAXO GROUP LIMITED (GB) | 2013-03-05 | — | — | US | disclosed |
| US-8389508-B2 | Heterocyclic compounds | GLAXO GROUP LIMITED (GB) | 2013-03-05 | — | — | US | disclosed |
| EP-2547662-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2013-01-23 | — | — | EP | disclosed |
| US-20130012491-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2013-01-10 | — | — | US | disclosed |
| US-20130012491-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2013-01-10 | — | — | US | disclosed |
| US-20130012491-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2013-01-10 | — | — | US | disclosed |
| WO-2011134280-A1 | COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | WO | disclosed |
| WO-2011134280-A1 | COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | WO | disclosed |
| US-20110269738-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | US | disclosed |
| US-20110269738-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | US | disclosed |
| US-20110269738-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | US | disclosed |
| WO-2011113309-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011113309-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2011-09-22 | — | — | 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-20110269738-A1 | COMPOUNDS | CYP11B2, CYP11B1, GPR119 | RXRA 795/4885RXRB 595/4885RXRG 683/4885 |
| US-20130012491-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | S1PR1, S1PR3, S1PR5 | RXRA 782/4885RXRB 602/4885RXRG 700/4885 |
“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.