Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5144527 | 0.81 | CYP11B1 (0.40) | CYP11B1MMP2MMP9MMP8MMP13 | |
| SCHEMBL17051315 | 0.81 | CYP11B1 (0.42) | CYP11B1MMP2MMP9MMP8MMP13 | |
| SCHEMBL4968344 | 0.79 | ACACB (0.44) | ABL1NPC1 | |
| SCHEMBL3078167 | 0.79 | ALDH1A1 (0.46) | NPC1RAB9A | |
| SCHEMBL27801840 | 0.78 | CYP11B1 (0.40) | CYP11B1MMP2MMP9MMP8MMP13 | |
| SCHEMBL22558605 | 0.76 | ESR1 (0.41) | ABL1CPB2TRPA1ESR1ESR2 | |
| SCHEMBL9284510 | 0.75 | ACACB (0.42) | TRPA1NPC1RAB9A | |
| SCHEMBL10041 | 0.75 | ACACB (0.42) | TRPA1NPC1RAB9A | |
| SCHEMBL769730 | 0.75 | MMP2 (0.40) | CYP11B1MMP2MMP9MMP8MMP13 | |
| SCHEMBL25212514 | 0.75 | TKT (0.43) | ABL1 |
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 3 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-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 |