Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LIG1 | P18858 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 5/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 7/20 | 0.35 |
| ▸ | RCOR1 | Q9UKL0 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL5426053 | 1.00 | TSHR (0.43) | TSHRLIG1S1PR4S1PR1S1PR3 | |
| SCHEMBL3496987 | 1.00 | TSHR (0.43) | TSHRLIG1S1PR4S1PR1S1PR3 | |
| SCHEMBL26086875 | 0.88 | TSHR (0.42) | TSHRLIG1S1PR4S1PR1S1PR3 | |
| SCHEMBL10216 | 0.84 | KDM1A (0.40) | TSHRLIG1KDM1ARCOR1KCNH2 | |
| SCHEMBL23319996 | 0.81 | ESR2 (0.56) | ESR2ESR1 | |
| SCHEMBL13499936 | 0.81 | MAOB (0.41) | S1PR4S1PR1S1PR3S1PR5ESR2 | |
| SCHEMBL13499921 | 0.81 | MAOB (0.41) | S1PR4S1PR1S1PR3S1PR5ESR2 | |
| SCHEMBL13499042 | 0.78 | MGLL (0.40) | S1PR4S1PR1S1PR3S1PR5ESR2 | |
| SCHEMBL14580445 | 0.78 | MGLL (0.40) | S1PR4S1PR1S1PR3S1PR5ESR2 | |
| SCHEMBL13499054 | 0.78 | MGLL (0.40) | S1PR4S1PR1S1PR3S1PR5ESR2 |
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 5 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 |
| CN-101043887-A | 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as s1p receptor agonists | MERCK & CO INC (US) | 2007-09-26 | — | — | CN | 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 | TSHR 1055/4885LIG1 1380/4885S1PR4 5/4885 |
“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.