Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 2/20 | 0.41 |
| ▸ | LAP3 | P28838 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28799872 | 0.91 | SRC (0.61) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| SCHEMBL21647518 | 0.91 | SRC (0.61) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| Hydrochloric Acid SCHEMBL28246799 | 0.89 | SRC (0.59) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| Alcohol SCHEMBL28173306 | 0.86 | SRC (0.52) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| Toluene SCHEMBL28281288 | 0.86 | SRC (0.52) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| SCHEMBL59584 | 0.83 | SRC (0.57) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| Benzene SCHEMBL11142811 | 0.82 | SRC (0.73) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| SCHEMBL37038 | 0.82 | SRC (0.73) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| SCHEMBL27676341 | 0.82 | SRC (0.73) | ALDH1A1SRCPOLBL3MBTL1TDP1 | |
| Methylamine SCHEMBL11592407 | 0.81 | SRC (0.64) | ALDH1A1SRCPOLBL3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104822420-A | SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 | HOFFMANN LA ROCHE | 2015-08-05 | — | — | CN | disclosed |