Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12017169 | 0.90 | NOTUM (0.41) | S1PR1S1PR3NOTUMMAPTP2RY14 | |
| SCHEMBL1219816 | 0.85 | NOTUM (0.47) | S1PR1S1PR3NOTUMP2RY14CYP2C9 | |
| SCHEMBL1221497 | 0.84 | NOTUM (0.48) | NOTUMMAPTCYP2C9NPC1RAB9A | |
| SCHEMBL1441397 | 0.83 | NOTUM (0.56) | S1PR1S1PR3NOTUMMAPTP2RY14 | |
| SCHEMBL3720363 | 0.76 | NOTUM (0.45) | NOTUMMAPTP2RY14CYP2C9TSPO | |
| SCHEMBL1221722 | 0.74 | MAPT (0.41) | NOTUMMAPTCYP2C9NPC1RAB9A | |
| SCHEMBL12017168 | 0.74 | NOTUM (0.49) | S1PR1S1PR3NOTUMMAPTP2RY14 | |
| SCHEMBL1220445 | 0.74 | KCNH2 (0.51) | P2RY14CYP2C9TSPOTMEM97SIGMAR1 | |
| SCHEMBL1220218 | 0.74 | CYP11B2 (0.48) | NOTUM | |
| SCHEMBL1220837 | 0.74 | MPL (0.46) | P2RY14CYP2C9TSPOTMEM97SIGMAR1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120220603-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY | ZALICUS PHARMACEUTICALS LTD. (CA) | 2012-08-30 | — | — | US | disclosed |
| US-20120220603-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY | ZALICUS PHARMACEUTICALS LTD. (CA) | 2012-08-30 | — | — | US | disclosed |
| EP-2473488-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY | Zalicus Pharmaceuticals Ltd. (CA) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011026241-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY | ZALICUS PHARMACEUTICALS LTD. (CA) | 2011-03-10 | — | — | WO | disclosed |
| US-20110044943-A1 | Anti-Viral Compounds, Compositions, And Methods Of Use | GLAXOSMITHKLINE LLC | 2011-02-24 | — | — | US | disclosed |
| WO-2010081145-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | GLAXOSMITHKLINE LLC (US) | 2010-07-15 | — | — | WO | disclosed |
| EP-2178877-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | GlaxoSmithKline LLC (US) | 2010-04-28 | — | — | EP | disclosed |
| US-20100029655-A1 | Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them | LEIVERS MARTIN ROBERT | 2010-02-04 | — | — | US | disclosed |
| WO-2010006096-A1 | PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM CORPORATION (US) | 2010-01-14 | — | — | WO | disclosed |
| US-20090197880-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | GENELABS TECHNOLOGIES, INC. | 2009-08-06 | — | — | US | disclosed |
| US-20090074717-A1 | Anti-viral compounds, compositions, and methods of use | GLAXOSMITHKLINE LLC | 2009-03-19 | — | — | US | disclosed |
| WO-2009011787-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | GENELABS TECHNOLOGIES, INC. (US) | 2009-01-22 | — | — | 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 (5 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-20090074717-A1 | Anti-viral compounds, compositions, and methods of use | HAVCR2, SARS1, RPL35 | S1PR1 3054/4885S1PR3 2741/4885NOTUM 1675/4885 |
| US-20120220603-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY | CACNA1B, SCN1A, CACNA1I | S1PR1 1391/4885S1PR3 968/4885NOTUM 2877/4885 |
| US-20110044943-A1 | Anti-Viral Compounds, Compositions, And Methods Of Use | HAVCR2, SARS1, RPL35 | S1PR1 3054/4885S1PR3 2741/4885NOTUM 1675/4885 |
| US-20090197880-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | HAVCR2, SARS1, RPL35 | S1PR1 3054/4885S1PR3 2741/4885NOTUM 1675/4885 |
| US-20100029655-A1 | Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them | RPL35, HAVCR2, RPL5 | S1PR1 4081/4885S1PR3 3965/4885NOTUM 1905/4885 |
“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.