Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4679096 | 0.88 | THRB (0.61) | ALDH1A1SRD5A2THRBTHRATP53 | |
| SCHEMBL1505324 | 0.83 | ALDH1A1 (0.59) | ALDH1A1SRD5A2THRBTP53TSHR | |
| SCHEMBL12491968 | 0.82 | ALDH1A1 (0.57) | ALDH1A1SRD5A2THRBTHRATP53 | |
| SCHEMBL7564084 | 0.80 | SLC6A2 (0.57) | ALDH1A1SRD5A2THRBTHRATP53 | |
| SCHEMBL7546320 | 0.78 | ESR1 (0.60) | ALDH1A1SRD5A2THRBTP53TSHR | |
| SCHEMBL28261548 | 0.78 | ALDH1A1 (0.59) | ALDH1A1THRBTP53TSHREPHX2 | |
| SCHEMBL18185649 | 0.78 | ALDH1A1 (0.53) | ALDH1A1SRD5A2THRBTHRATP53 | |
| SCHEMBL9004089 | 0.77 | BLM (0.71) | ALDH1A1SRD5A2THRBTHRATP53 | |
| SCHEMBL15677644 | 0.77 | ALDH1A1 (0.76) | ALDH1A1SRD5A2NR4A2RXRARXRB | |
| SCHEMBL20707173 | 0.76 | THRA (0.44) | THRBTHRATSHREPHX2NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1625123-A4 | 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | MERCK & CO INC (US) | 2007-08-29 | — | — | EP | disclosed |
| US-20060252741-A1 | 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists | MERCK & CO., INC. | 2006-11-09 | — | — | US | disclosed |
| EP-1625123-A2 | 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004103279-A2 | 3-(2-AMINO-1-AZACYCLYL)-5-ARYL-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2004-12-02 | — | — | 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-20060252741-A1 | 3-(2-amino-1-azacyclyl)-5-aryl-1,2,4-oxadiazoles as s1p receptor agonists | S1PR1, S1PR3, S1PR5 | ALDH1A1 754/4885SRD5A2 345/4885THRB 1449/4885 |
“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.