Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.42 |
| ▸ | F12 | P00748 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8805924 | 0.87 | PTGES (0.49) | GPR55CA12CA9 | |
| SCHEMBL12420169 | 0.85 | PPARG (0.49) | PIM1CYP2A6CYP19A1GRIN1GRIN2A | |
| SCHEMBL9573696 | 0.84 | CYP2A6 (0.50) | PIM1CYP2A6CYP19A1POLBRAB9A | |
| SCHEMBL10856729 | 0.82 | KMT2A (0.51) | PIM1CYP2A6CYP19A1POLBRAB9A | |
| SCHEMBL29087527 | 0.81 | LOXL2 (0.53) | CYP2A6CYP19A1HTR1AHTR2BTP53 | |
| SCHEMBL7806512 | 0.80 | LOXL2 (0.60) | CYP2A6CYP19A1GPR55RAB9ATSHR | |
| SCHEMBL7388457 | 0.80 | POLB (0.49) | PIM1CYP2A6CYP19A1GPR55POLB | |
| SCHEMBL6496933 | 0.80 | NPC1 (0.49) | GPR55POLBRAB9ALMNATSHR | |
| SCHEMBL15157277 | 0.80 | MAOA (0.49) | LMNATSHRNPY1RMAPK1AKT1 | |
| SCHEMBL154626 | 0.79 | MAOB (0.51) | CYP19A1RAB9ATSHRMAPK1HTR1A |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2364976-B1 | S1P receptor modulating compounds and use thereof | EPIX PHARM INC (US) | 2014-10-08 | — | — | EP | disclosed |
| EP-2364976-B1 | S1P receptor modulating compounds and use thereof | EPIX PHARM INC (US) | 2014-10-08 | — | — | EP | disclosed |
| EP-2364976-A1 | S1P receptor modulating compounds and use thereof | EPIX Pharmaceuticals, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| EP-2364976-A1 | S1P receptor modulating compounds and use thereof | EPIX Pharmaceuticals, Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| US-20110212940-A1 | S1P Receptor Modulating Compounds and Use Thereof | EPIX PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| US-20110212940-A1 | S1P Receptor Modulating Compounds and Use Thereof | EPIX PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| US-20110212940-A1 | S1P Receptor Modulating Compounds and Use Thereof | EPIX PHARMACEUTICALS, INC. (US) | 2011-09-01 | — | — | US | disclosed |
| US-7919519-B2 | 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease | EPIX PHARMACEUTICALS INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-7919519-B2 | 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease | EPIX PHARMACEUTICALS INC. (US) | 2011-04-05 | — | — | US | disclosed |
| US-7919519-B2 | 1-(4-(5-Phenylbenzofuran-2-yl)benzyl)azetidine-3-carboxylic acids; anticarcinogenic, antiinflammatory, antiarthritic, antidiabetic agents; transplant rejection, autoimmune diseases, lupus, multiple sclerosis, psoriasis, inflammatory bowel disease, Chron's disease | EPIX PHARMACEUTICALS INC. (US) | 2011-04-05 | — | — | US | disclosed |
| EP-2121648-A2 | S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20080027036-A1 | S1P receptor modulating compounds and use thereof | EPIX DELAWARE, INC. (US) | 2008-01-31 | — | — | US | disclosed |
| US-20080027036-A1 | S1P receptor modulating compounds and use thereof | EPIX DELAWARE, INC. (US) | 2008-01-31 | — | — | US | disclosed |
| US-20080027036-A1 | S1P receptor modulating compounds and use thereof | EPIX DELAWARE, INC. (US) | 2008-01-31 | — | — | US | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |
| US-4117128-A | SULFONYL BENZOFURANS AND BENZOTHIOPHENES HAVING CORONARY VASODILATOR ACTIVITY | SMITHKLINE CORPORATION (US) | 1978-09-26 | — | — | US | disclosed |
| US-4024273-A | Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity | SMITHKLINE CORPORATION (US) | 1977-05-17 | — | — | US | disclosed |
| US-3983245-A | CORONARY VASODILATORS | SMITHKLINE CORPORATION (US) | 1976-09-28 | — | — | US | disclosed |
| US-3947470-A | CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS | SMITHKLINE CORPORATION (US) | 1976-03-30 | — | — | 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 (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-20080027036-A1 | S1P receptor modulating compounds and use thereof | S1PR1, S1PR5, S1PR2 | PIM1 3281/4885CYP2A6 2759/4885CYP19A1 2714/4885 |
| US-20110212940-A1 | S1P Receptor Modulating Compounds and Use Thereof | S1PR1, S1PR5, S1PR2 | PIM1 3281/4885CYP2A6 2759/4885CYP19A1 2714/4885 |
“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.