Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.67 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.55 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CTSD | P07339 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL995085 | 0.82 | GAA (0.77) | KMT2AMEN1LMNAL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL2105315 | 0.82 | MEN1 (0.67) | KMT2AMEN1ABCG2GAAHTT | |
| SCHEMBL5666338 | 0.82 | KMT2A (0.78) | KMT2AMEN1ABCG2LMNAL3MBTL1 | |
| SCHEMBL5665828 | 0.82 | KMT2A (0.74) | KMT2AMEN1ABCG2LMNAL3MBTL1 | |
| SCHEMBL4445674 | 0.81 | MEN1 (0.68) | KMT2AMEN1ABCG2GAAHTT | |
| SCHEMBL27969765 | 0.80 | KMT2A (0.71) | KMT2AMEN1ABCG2LMNAL3MBTL1 | |
| Methyl Alcohol SCHEMBL4957272 | 0.80 | GAA (0.73) | KMT2AMEN1LMNAL3MBTL1GAA | |
| SCHEMBL30236587 | 0.79 | MEN1 (0.78) | KMT2AMEN1ABCG2GAAHTT | |
| SCHEMBL14018737 | 0.79 | MEN1 (0.70) | KMT2AMEN1ABCG2GAAHTT | |
| SCHEMBL5223456 | 0.79 | MEN1 (0.78) | KMT2AMEN1ABCG2GAAHTT |
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-2019057969-A1 | DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES | Johann Wolfgang Goethe-Universität (DE) | 2019-03-28 | — | — | WO | disclosed |