Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28603642 | 1.00 | ESR1 (0.57) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL11821125 | 0.88 | TTR (0.49) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL25629659 | 0.87 | TTR (0.48) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL13514358 | 0.87 | TTR (0.55) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL4955852 | 0.85 | TTR (0.47) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL2196430 | 0.85 | CYP3A4 (0.48) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL4957133 | 0.85 | CNKSR1 (0.48) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL2196432 | 0.85 | CYP3A4 (0.48) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL4954323 | 0.85 | CNKSR1 (0.48) | ESR1TTRDPP4CA12CA1 | |
| SCHEMBL1508503 | 0.84 | ESR1 (0.60) | ESR1TTRDPP4CA12CA1 |
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-113135816-A | Method for synthesizing photoactive bromohydrin compound | 常州大学 | 2021-07-20 | — | — | CN | disclosed |