Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 9/20 | 0.44 |
| ▸ | RXRG | P48443 | 9/20 | 0.44 |
| ▸ | RXRB | P28702 | 8/20 | 0.44 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 4/20 | 0.38 |
| ▸ | PPARA | Q07869 | 4/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15110938 | 0.76 | CES2 (0.31) | CES2 | |
| SCHEMBL6001752 | 0.76 | DAO (0.32) | DAO | |
| SCHEMBL22775587 | 0.75 | GRB2 (0.44) | LMNAALDH1A1 | |
| SCHEMBL27809521 | 0.75 | KDM4E (0.41) | RXRARXRGRXRBAGBL2LMNA | |
| SCHEMBL10465340 | 0.73 | LMNA (0.32) | LMNACES2DAOALDH1A1 | |
| SCHEMBL128751 | 0.72 | — | — | |
| SCHEMBL30571177 | 0.72 | RPS6KB2 (0.49) | LMNADAOALDH1A1 | |
| SCHEMBL10946277 | 0.72 | PTPN1 (0.31) | — | |
| SCHEMBL7468245 | 0.72 | DAO (0.42) | DAOALDH1A1 | |
| SCHEMBL16369693 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102083799-B | Benzimidazole derivatives used as FXR agonists | HOFFMANN LA ROCHE | 2013-10-16 | — | — | CN | disclosed |
| CN-102083799-A | Benzimidazole derivatives used as FXR agonists | HOFFMANN LA ROCHE | 2011-06-01 | — | — | CN | disclosed |
| CN-1081639-C | Vinylpyrrolidinon cephalosporin derivatives | HOFFMANN LA ROCHE (CH) | 2002-03-27 | — | — | CN | disclosed |
| CN-1181382-A | Vinylpyrrolidinon cephalosporin derivatives | HOFFMANN LA ROCHE (CH) | 1998-05-13 | — | — | CN | disclosed |