Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | BAD | Q92934 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL27881034 | 0.81 | SRD5A2 (0.35) | RXRARXRBRXRGSRD5A2TSHR | |
| SCHEMBL27844159 | 0.81 | SRD5A2 (0.35) | RXRARXRBRXRGSRD5A2TSHR | |
| SCHEMBL28797363 | 0.78 | MEN1 (0.37) | RXRARXRBRXRGSRD5A2TSHR | |
| SCHEMBL27868533 | 0.75 | MEN1 (0.35) | RXRARXRBRXRGSRD5A2PDK2 | |
| SCHEMBL27868532 | 0.72 | CA1 (0.35) | RXRASRD5A2TSHRTP53MEN1 | |
| SCHEMBL3486070 | 0.67 | — | — | |
| SCHEMBL18931518 | 0.64 | TSHR (0.52) | SRD5A2TSHRTP53BCL2L1BAD | |
| SCHEMBL16599817 | 0.64 | HTR2A (0.33) | — | |
| SCHEMBL13267497 | 0.62 | TSHR (0.48) | SRD5A2TSHRTP53BCL2L1BAD | |
| Terephthalic Acid SCHEMBL23302228 | 0.61 | TSHR (0.67) | RXRARXRBRXRGSRD5A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-102803238-B | Oxadiazole Derivatives | MERCK SERONO S.A. (CH) | 2015-09-30 | — | — | CN | disclosed |
| CN-102803238-A | Oxadiazole derivatives | MERCK SERONO SA | 2012-11-28 | — | — | CN | disclosed |
| CN-102459206-A | Oxadiazole derivatives | MERCK SERONO SA | 2012-05-16 | — | — | CN | disclosed |