Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 6/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | DBH | P09172 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12093633 | 0.81 | CYP19A1 (0.36) | ACHETUBB1CYP19A1PDGFRBPDGFRA | |
| SCHEMBL16256381 | 0.81 | ACHE (0.36) | ACHETUBB1CYP19A1ALDH1A1TDP1 | |
| SCHEMBL24899658 | 0.80 | TPMT (0.34) | ACHETUBB1 | |
| SCHEMBL27628106 | 0.80 | CA2 (0.43) | ACHETUBB1ALDH1A1MAPT | |
| SCHEMBL6739577 | 0.80 | TUBB1 (0.35) | ACHETUBB1CYP19A1FFAR1FFAR4 | |
| Methoxymethane SCHEMBL27534547 | 0.79 | CA1 (0.33) | TUBB1 | |
| SCHEMBL448336 | 0.79 | ALDH1A1 (0.39) | ACHETUBB1ALDH1A1TDP1CYP3A4 | |
| SCHEMBL22883762 | 0.79 | TDP1 (0.36) | ACHETUBB1CYP19A1ALDH1A1PDGFRB | |
| SCHEMBL25667857 | 0.77 | ILK (0.36) | ACHETUBB1PDGFRBPDGFRA | |
| SCHEMBL6063248 | 0.77 | — | — |
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-109776324-A | Homoallyltrifluoromethyl compound and preparation method thereof | 南京工业大学 | 2019-05-21 | — | — | CN | disclosed |