Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.46 |
| ▸ | LCAT | P04180 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.42 |
| ▸ | MTOR | P42345 | 6/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26124752 | 0.84 | EPHX2 (0.54) | KDM4ELCATALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30546169 | 0.84 | EPHX2 (0.54) | KDM4ELCATALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7227123 | 0.78 | PIK3CA (0.49) | KDM4EPIK3CAMTORALDH1A1LMNA | |
| SCHEMBL14375972 | 0.78 | ALDH1A1 (0.54) | KDM4ELRRK2ALDH1A1LMNAHSD17B10 | |
| SCHEMBL19145547 | 0.78 | KDM4E (0.54) | KDM4ELRRK2PIK3CAMTORALDH1A1 | |
| SCHEMBL3953284 | 0.78 | KDM4E (0.48) | KDM4ELRRK2PIK3CAMTORALDH1A1 | |
| SCHEMBL19105589 | 0.75 | KDM4E (0.48) | KDM4EPIK3CAMTORALDH1A1LMNA | |
| SCHEMBL14376159 | 0.75 | PDE10A (0.51) | KDM4ELRRK2ALDH1A1CYP2C19HSD17B10 | |
| SCHEMBL249912 | 0.74 | NOTUM (0.51) | KDM4EALDH1A1LMNATP53TSHR | |
| SCHEMBL3947541 | 0.74 | POLB (0.55) | KDM4EPIK3CAMTORALDH1A1CYP1A2 |
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-7605171-B2 | (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists | MERCK & CO., INC. (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| US-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | MERCK & CO., INC. (US) | 2008-10-09 | — | — | US | disclosed |
| CN-1894225-A | (3, 4-disubstituted) propanoates as sphingosine 1-phosphate (endothelial differentiation gene) receptor agonists | MERCK & CO INC (US) | 2007-01-10 | — | — | CN | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | 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 (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-20080249093-A1 | (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists | S1PR1, S1PR3, S1PR5 | KDM4E 2051/4885LRRK2 2694/4885LCAT 1844/4885 |
“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.