Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | MMP8 | P22894 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6266472 | 0.80 | TP53 (0.46) | TP53TSHRCYP11B1CYP19A1 | |
| SCHEMBL17051315 | 0.80 | CYP11B1 (0.42) | TSHRCYP11B1PARP1MMP2MMP9 | |
| SCHEMBL27801840 | 0.77 | CYP11B1 (0.40) | CYP11B1PARP1MMP2MMP9MMP8 | |
| SCHEMBL5144527 | 0.77 | CYP11B1 (0.40) | TSHRCYP11B1PARP1MMP2MMP9 | |
| SCHEMBL11200328 | 0.76 | TP53 (0.61) | TP53TSHRNPC1RAB9A | |
| SCHEMBL5498500 | 0.76 | TP53 (0.45) | TP53TSHRCPB2GRM2 | |
| SCHEMBL5499533 | 0.76 | P4HTM (0.54) | TP53TSHRCPB2 | |
| SCHEMBL5499522 | 0.74 | ABL1 (0.39) | CYP11B1PARP1MMP2MMP9MMP8 | |
| SCHEMBL225716 | 0.74 | CYP11B1 (0.43) | CYP11B1PARP1MMP2MMP9MMP8 | |
| SCHEMBL769730 | 0.73 | MMP2 (0.40) | CYP11B1PARP1MMP2MMP9MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1670463-A2 | 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-06-21 | — | — | EP | 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-2005032465-A2 | 3,5-ARYL, HETEROARYL OR CYCLOALKYL SUBSTITUTED-1,2,4-OXADIAZOLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-04-14 | — | — | WO | 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 |