Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.78 |
| ▸ | MAPT | P10636 | 5/20 | 0.78 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.78 |
| ▸ | MEN1 | O00255 | 2/20 | 0.78 |
| ▸ | CA9 | Q16790 | 3/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.53 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGES | O14684 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27945114 | 0.92 | KMT2A (0.71) | KMT2AMAPTTDP1MEN1CA9 | |
| SCHEMBL31365678 | 0.92 | KMT2A (0.75) | KMT2AMAPTTDP1MEN1CA9 | |
| SCHEMBL27858102 | 0.92 | KMT2A (0.75) | KMT2AMAPTTDP1MEN1CA9 | |
| SCHEMBL1639878 | 0.88 | KMT2A (1.00) | KMT2AMAPTTDP1MEN1CA9 | |
| SCHEMBL30523105 | 0.88 | KMT2A (1.00) | KMT2AMAPTTDP1MEN1CA9 | |
| Ammonia Solution, Strong SCHEMBL11705203 | 0.86 | KMT2A (0.96) | KMT2AMAPTTDP1MEN1CA9 | |
| SCHEMBL18058690 | 0.84 | KMT2A (0.93) | KMT2AMAPTTDP1MEN1CA9 | |
| SCHEMBL31499302 | 0.84 | KMT2A (0.56) | KMT2AMAPTTDP1MEN1CA9 | |
| Benzoic Acid SCHEMBL9956914 | 0.83 | KMT2A (0.90) | KMT2AMAPTTDP1MEN1CA9 | |
| SCHEMBL27267214 | 0.82 | ALOX5 (0.60) | KMT2AMAPTTDP1MEN1CA9 |
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-118724999-A | Synthesis of cholic acid derivative and application of cholic acid derivative as TGR5 allosteric agonist | 常州大学 | 2024-10-01 | — | — | CN | disclosed |
| CN-115710298-B | Cholic acid derivative, preparation method thereof and application of cholic acid derivative as TGR5 allosteric agonist | 常州大学 | 2024-10-01 | — | — | CN | disclosed |
| WO-2023168974-A1 | CHOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF AS TGR5 ALLOSTERIC AGONIST | 常州大学 | 2023-09-14 | — | — | WO | disclosed |
| CN-115943307-A | MR1 ligands and pharmaceutical compositions for immunomodulation | 巴塞尔大学 | 2023-04-07 | — | — | CN | disclosed |