Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.47 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28762314 | 1.00 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| SCHEMBL3204080 | 0.82 | HTT (0.63) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| Water SCHEMBL28556541 | 0.73 | ALDH1A1 (0.58) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| SCHEMBL25702589 | 0.73 | RAB9A (0.51) | ALDH1A1MAPTKMT2AMEN1RAB9A | |
| SCHEMBL12257976 | 0.72 | PSMB8 (0.64) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| SCHEMBL30179604 | 0.72 | PSMB8 (0.58) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| SCHEMBL6029431 | 0.72 | ALDH1A1 (1.00) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| SCHEMBL28332572 | 0.72 | PSMB8 (0.58) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| SCHEMBL8799200 | 0.71 | ALOX15 (0.49) | ALDH1A1MAPTLMNAHTTL3MBTL1 | |
| SCHEMBL29572038 | 0.70 | PSMB8 (0.60) | ALDH1A1MAPTLMNAHTTL3MBTL1 |
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-114605316-A | Beta-aromatic heterocyclic-gamma-trifluoromethyl amine compound and synthesis method thereof | 中山大学 | 2022-06-10 | — | — | CN | disclosed |