Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.53 |
| ▸ | GFER | P55789 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ME2 | P23368 | 2/20 | 0.52 |
| ▸ | ME1 | P48163 | 2/20 | 0.52 |
| ▸ | ME3 | Q16798 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL29939675 | 0.87 | MAPT (0.50) | ALDH1A1KDM4EMAPTGAAMAPK1 | |
| SCHEMBL24641500 | 0.84 | SMN1; SMN2 (0.59) | ALDH1A1MAPTGAAGFERALOX15 | |
| SCHEMBL29939249 | 0.83 | MAPT (0.61) | ALDH1A1KDM4EMAPTGAAGFER | |
| SCHEMBL24641978 | 0.82 | MAPT (0.56) | MAPTGAANPC1HTR2AHTR2C | |
| SCHEMBL24641663 | 0.81 | MAPT (0.57) | ALDH1A1KDM4EMAPTGAASMN1; SMN2 | |
| SCHEMBL29939879 | 0.81 | KMT2A (0.60) | MAPTGAAMEN1KMT2ALMNA | |
| SCHEMBL19210942 | 0.79 | SMN1; SMN2 (0.56) | ALDH1A1MAPTGAAGFERTP53 | |
| SCHEMBL16026436 | 0.77 | NCF1 (0.57) | ALDH1A1KDM4EMAPTGAAGFER | |
| SCHEMBL19212263 | 0.76 | SMN1; SMN2 (0.49) | ALDH1A1MAPTGAAGFERTP53 | |
| Bicarbonate SCHEMBL11575509 | 0.76 | GAA (0.80) | ALDH1A1KDM4EMAPTGAAMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022218440-A1 | FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 青岛睿吉医疗技术有限公司 | 2022-10-20 | — | — | WO | disclosed |