Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2926477 | 0.82 | HSP90AA1 (0.50) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| SCHEMBL31009028 | 0.81 | HSP90AA1 (0.64) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| SCHEMBL194620 | 0.81 | HSP90AA1 (0.53) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| SCHEMBL3796054 | 0.81 | HSP90AA1 (0.53) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| SCHEMBL22491995 | 0.81 | HSP90AA1 (0.53) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| SCHEMBL194941 | 0.81 | HSP90AA1 (0.53) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| SCHEMBL175601 | 0.79 | HSP90AA1 (0.65) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| Ethylene SCHEMBL29262704 | 0.77 | HSP90AA1 (0.64) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| Ethylene SCHEMBL29234464 | 0.77 | HSP90AA1 (0.64) | HSP90AA1FAAHMAPTALDH1A1KMT2A | |
| Ethylene SCHEMBL4618447 | 0.77 | HSP90AA1 (0.64) | HSP90AA1FAAHMAPTALDH1A1KMT2A |
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-114805127-B | Preparation method of 2-trifluoromethyl-1-tetralone compound | 武汉大学 | 2023-03-24 | — | — | CN | claimed |