Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | PPARA | Q07869 | 1/20 | 0.54 |
| ▸ | TNF | P01375 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27829876 | 0.88 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1PPARGPPARACNR2 | |
| SCHEMBL6211904 | 0.86 | L3MBTL1 (0.55) | ALDH1A1L3MBTL1TNFCNR2PLA2G1B | |
| SCHEMBL11071292 | 0.85 | L3MBTL1 (0.61) | ALDH1A1L3MBTL1TNFFFAR1 | |
| SCHEMBL5801572 | 0.85 | EPHX1 (0.58) | ALDH1A1EPHX1MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL7314689 | 0.83 | EPHX1 (0.56) | ALDH1A1EPHX1MTNR1AMTNR1B | |
| SCHEMBL6176524 | 0.82 | PKM (0.60) | ALDH1A1L3MBTL1PPARGPPARALDHA | |
| SCHEMBL12836590 | 0.80 | FFAR1 (0.59) | ALDH1A1L3MBTL1TNFFFAR1 | |
| SCHEMBL28108056 | 0.79 | EPHX1 (0.71) | ALDH1A1L3MBTL1PPARGPPARACNR2 | |
| SCHEMBL27702953 | 0.78 | TNF (0.55) | L3MBTL1TNFLDHAATMFFAR1 | |
| SCHEMBL17335489 | 0.78 | LDHA (0.58) | ALDH1A1TNFLDHAOPRD1 |
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-109666022-A | Triazole derivatives and its preparation method and application | 中国科学院上海药物研究所 | 2019-04-23 | — | — | CN | disclosed |