Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12488195 | 0.88 | HTT (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16054955 | 0.86 | POLB (0.48) | POLBGAAKDM4ESMN1; SMN2PDE4A | |
| SCHEMBL19202175 | 0.86 | TSHR (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26608440 | 0.86 | ABL1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28721789 | 0.82 | ACMSD (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19202429 | 0.78 | HTT (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL25303322 | 0.78 | NR4A2 (0.59) | ALDH1A1MAPTLMNARAB9AKMT2A | |
| SCHEMBL30589687 | 0.78 | NR4A2 (0.59) | ALDH1A1MAPTLMNARAB9AKMT2A | |
| SCHEMBL28645076 | 0.77 | ACMSD (0.61) | HTTKDM4EGLAALDH1A1MAPT | |
| SCHEMBL14562482 | 0.76 | GAA (0.47) | POLBHTTGAAKDM4EALDH1A1 |
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 |