Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 6/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 5/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL3495579 | 1.00 | KDM1A (0.38) | KDM1AKCNH2HTTS1PR4S1PR1 | |
| SCHEMBL3495572 | 1.00 | KDM1A (0.38) | KDM1AKCNH2HTTS1PR4S1PR1 | |
| SCHEMBL3496531 | 1.00 | KDM1A (0.38) | KDM1AKCNH2HTTS1PR4S1PR1 | |
| SCHEMBL3496533 | 1.00 | KDM1A (0.38) | KDM1AKCNH2HTTS1PR4S1PR1 | |
| SCHEMBL5530479 | 0.84 | GPR119 (0.36) | KDM1AKCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL5527993 | 0.81 | NOD2 (0.36) | KDM1AKCNH2S1PR4S1PR1S1PR5 | |
| SCHEMBL8267837 | 0.80 | S1PR4 (0.44) | KCNH2S1PR4S1PR1S1PR5S1PR3 | |
| Hydrochloric Acid SCHEMBL7273884 | 0.79 | MEN1 (0.44) | KDM1A | |
| SCHEMBL3496537 | 0.78 | KCNH2 (0.37) | KDM1AKCNH2HTTL3MBTL1PGR | |
| SCHEMBL3496534 | 0.78 | KCNH2 (0.37) | KDM1AKCNH2HTTL3MBTL1PGR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7659294-B2 | 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as S1P receptor agonists | MERCK & CO., INC. (US) | 2010-02-09 | — | — | US | disclosed |
| US-20090042954-A1 | 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists | MERCK SHARP & DOHME CORP. | 2009-02-12 | — | — | US | disclosed |
| EP-1804793-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006047195-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | 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-20090042954-A1 | 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists | S1PR1, S1PR3, S1PR5 | KDM1A 781/4885KCNH2 3277/4885HTT 4760/4885 |
“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.