Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19202337 | 0.86 | CA12 (0.41) | TSHRALDH1A1HPGDHSD17B10LMNA | |
| SCHEMBL18640659 | 0.86 | TSHR (0.50) | TSHRALDH1A1HPGDHSD17B10LMNA | |
| SCHEMBL22334472 | 0.82 | ACMSD (0.50) | TSHRALDH1A1HPGDHSD17B10LMNA | |
| SCHEMBL12488195 | 0.81 | HTT (0.44) | ALDH1A1HPGDHSD17B10LMNAPOLB | |
| SCHEMBL3867583 | 0.80 | TLR9 (0.50) | TSHRALDH1A1HPGDHSD17B10 | |
| SCHEMBL26608440 | 0.79 | ABL1 (0.42) | ALDH1A1HPGDHSD17B10LMNAPOLB | |
| SCHEMBL16054955 | 0.79 | POLB (0.48) | POLBL3MBTL1 | |
| SCHEMBL13406256 | 0.79 | QDPR (0.50) | TSHRALDH1A1HPGDHSD17B10LMNA | |
| Hydrochloric Acid SCHEMBL3167799 | 0.79 | TLR9 (0.49) | TSHRALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL17002963 | 0.78 | KDM1A (0.59) | TSHRALDH1A1HPGDHSD17B10KDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071470-B | FXR agonist and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2021-10-15 | — | — | CN | disclosed |
| WO-2017128896-A1 | FXR AGONIST AND PREPARATION METHOD AND USE THEREOF | 江苏豪森药业集团有限公司 | 2017-08-03 | — | — | WO | disclosed |