Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.46 |
| ▸ | ABL1 | P00519 | 3/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.44 |
| ▸ | BCR | P11274 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4303038 | 0.86 | ALDH1A1 (0.55) | ESR2HSD17B1HSD17B2ALDH1A1CYP3A4 | |
| SCHEMBL12440897 | 0.82 | ALDH1A1 (0.46) | MEN1KMT2AHSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL49999 | 0.81 | — | — | |
| SCHEMBL28188775 | 0.80 | ESR1 (0.56) | ESR1MEN1KMT2AESR2ALOX5 | |
| SCHEMBL16200431 | 0.80 | ALDH1A1 (0.48) | ESR1MEN1KMT2AESR2ALOX5 | |
| SCHEMBL458236 | 0.80 | ALDH1A1 (0.48) | ESR1MEN1KMT2AESR2ALOX5 | |
| SCHEMBL12954736 | 0.79 | ESR1 (0.55) | ESR1MEN1KMT2AESR2ALOX5 | |
| SCHEMBL27982534 | 0.79 | ESR1 (0.55) | ESR1MEN1KMT2AESR2ALOX5 | |
| SCHEMBL29468034 | 0.78 | TNKS2 (0.43) | MEN1KMT2AHSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL3032475 | 0.78 | ALOX5 (0.43) | MEN1KMT2AESR2ALOX5ALDH1A1 |
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-109761759-A | A kind of brominated method of high regioselectivity of phenol compound | 信阳师范学院 | 2019-05-17 | — | — | CN | disclosed |