Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15763955 | 0.89 | CES2 (0.42) | CYP4F2CYP4A11CES2CES1POLB | |
| SCHEMBL1993192 | 0.82 | ALOX15 (0.46) | CYP4F2CYP4A11GAACES2CES1 | |
| SCHEMBL27786228 | 0.82 | CES2 (0.39) | CYP4F2CYP4A11CES2CES1ALDH1A1 | |
| SCHEMBL156400 | 0.80 | CYP4F2 (0.51) | CYP4F2CYP4A11GAACES2CES1 | |
| SCHEMBL31621880 | 0.80 | CYP4F2 (0.51) | CYP4F2CYP4A11GAACES2CES1 | |
| SCHEMBL1994064 | 0.79 | ALOX15 (0.49) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL27709041 | 0.79 | TSHR (0.47) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL1996406 | 0.77 | KMT2A (0.51) | KMT2AMEN1EPHX2 | |
| SCHEMBL27633534 | 0.77 | CES2 (0.41) | CYP4F2CYP4A11GAACES2CES1 | |
| SCHEMBL12636057 | 0.75 | ELANE (0.40) | CYP4F2CYP4A11CES2CES1POLB |
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-112341332-B | Recycling method of sitagliptin key intermediate degradation waste | 浙江昌明药业有限公司 | 2023-04-28 | — | — | CN | disclosed |