Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.62 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.57 |
| ▸ | RXRA | P19793 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | RXRB | P28702 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RARB | P10826 | 1/20 | 0.50 |
| ▸ | RARG | P13631 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2772423 | 1.00 | NR1H4 (0.62) | NR1H4MCL1RXRATSHRRXRB | |
| Hydrochloric Acid SCHEMBL5483884 | 0.98 | NR1H4 (0.60) | NR1H4MCL1RXRATSHRRXRB | |
| Hydrochloric Acid SCHEMBL5753150 | 0.98 | NR1H4 (0.60) | NR1H4MCL1RXRATSHRRXRB | |
| Benzoic Acid SCHEMBL27717757 | 0.92 | NR1H4 (0.57) | NR1H4MCL1RXRATSHRRXRB | |
| SCHEMBL5289377 | 0.86 | RAB9A (0.55) | NR1H4MCL1ALDH1A1CA12CA1 | |
| SCHEMBL25390971 | 0.85 | TSHR (0.62) | RXRATSHRRXRBDAONAPRT | |
| SCHEMBL2951399 | 0.85 | NR1H4 (0.51) | NR1H4MCL1RXRATSHRRXRB | |
| SCHEMBL30159253 | 0.85 | NR1H4 (0.51) | NR1H4MCL1RXRATSHRRXRB | |
| SCHEMBL2772796 | 0.84 | MAPT (0.61) | NR1H4MCL1ALDH1A1SMN1; SMN2CA12 | |
| SCHEMBL36017 | 0.83 | TSHR (0.59) | NR1H4RXRATSHRRXRBDAO |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119192174-A | Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine | 广东药科大学 | 2024-12-27 | — | — | CN | claimed |
| CN-119192174-A | Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine | 广东药科大学 | 2024-12-27 | — | — | CN | disclosed |
| CN-112079794-B | Selenium-containing compound and application thereof in treatment of neurodegenerative diseases | 迈德欣国际有限公司 | 2024-11-12 | — | — | CN | disclosed |
| CN-110960495-B | Oral formulations of pyrrolidine derivatives | 奥布赛瓦股份公司 | 2022-05-10 | — | — | CN | disclosed |
| CN-114105850-A | Crystals useful in methods of treating disorders associated with OT-R activity | 奥布赛瓦股份公司 | 2022-03-01 | — | — | CN | disclosed |
| CN-114105851-A | Crystals useful in methods of treating disorders associated with OT-R activity | 奥布赛瓦股份公司 | 2022-03-01 | — | — | CN | disclosed |