Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.34 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13678314 | 0.83 | RXRA (0.49) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL12180332 | 0.83 | SYK (0.44) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL16174389 | 0.83 | SYK (0.44) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL21030751 | 0.82 | RXRA (0.39) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL10801467 | 0.81 | RXRA (0.42) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL13499051 | 0.81 | S1PR1 (0.41) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL11951621 | 0.81 | RXRA (0.48) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL15801232 | 0.80 | RXRA (0.39) | RXRARXRBRXRGCTSSCTSK | |
| SCHEMBL17718742 | 0.80 | AKR1C3 (0.38) | RXRARXRBRXRGAKR1C3AKR1C2 | |
| SCHEMBL13523269 | 0.78 | PDE2A (0.43) | RXRARXRBRXRGCTSSCTSK |
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-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 |
| 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 |
| US-20070043014-A1 | 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists | MERCK & CO., INC. (US) | 2007-02-22 | — | — | 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-20070043014-A1 | 3,5-Aryl, heteroaryl or cycloalkyl substituted-1,2,4-oxadiazoles as s1p receptor agonists | S1PR3, S1PR1, S1PR5 | RXRA 2543/4885RXRB 2263/4885RXRG 2492/4885 |
| US-20090042954-A1 | 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists | S1PR1, S1PR3, S1PR5 | RXRA 2202/4885RXRB 1989/4885RXRG 681/4885 |
“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.