Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ANPEP | P15144 | 1/20 | 0.50 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.50 |
| ▸ | ACACB | O00763 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11663636 | 0.85 | TSHR (0.56) | TP53TSHRALDH1A1ACACBKMT2A | |
| SCHEMBL452233 | 0.80 | PTGS1 (0.60) | TP53TSHRALDH1A1ANPEPENPEP | |
| SCHEMBL27959311 | 0.80 | PTGS1 (0.60) | TP53TSHRALDH1A1ANPEPENPEP | |
| SCHEMBL7526053 | 0.80 | TSHR (0.54) | TP53TSHRALDH1A1ACACBKMT2A | |
| SCHEMBL21613912 | 0.80 | TSHR (0.50) | TP53TSHRALDH1A1ACACBKMT2A | |
| SCHEMBL28533988 | 0.80 | TSHR (0.50) | TP53TSHRALDH1A1KMT2AADRB3 | |
| SCHEMBL5501294 | 0.79 | ALDH1A1 (0.48) | TP53TSHRALDH1A1ANPEPENPEP | |
| SCHEMBL13889195 | 0.79 | TP53 (0.61) | TP53TSHRFOLH1GAAMAPT | |
| SCHEMBL14473200 | 0.79 | TP53 (0.61) | TP53TSHRFOLH1GAAMAPT | |
| SCHEMBL13743729 | 0.79 | TP53 (0.61) | TP53TSHRFOLH1GAAMAPT |
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 |