Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10227775 | 0.79 | SLC7A5 (0.38) | POLBCA12CA1CA2CA7 | |
| SCHEMBL4129553 | 0.76 | LMNA (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4130119 | 0.75 | CES2 (0.37) | LMNAL3MBTL1GAACES2CES1 | |
| SCHEMBL28292787 | 0.71 | CES2 (0.54) | CA12CA1CA9ESR1LMNA | |
| SCHEMBL28110591 | 0.71 | ESR1 (0.33) | ESR1MAPK1RAB9A | |
| SCHEMBL28363517 | 0.70 | KDM4E (0.50) | POLBCA12CA1CA2CA7 | |
| SCHEMBL10228048 | 0.69 | ESR1 (0.36) | POLBCA12CA1CA2CA9 | |
| SCHEMBL14037668 | 0.69 | KDM4E (0.48) | POLBCA12CA1CA2CA7 | |
| SCHEMBL28813133 | 0.68 | TSHR (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26462734 | 0.68 | KLKB1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108947782-B | Bromofluoride multi-substituted benzaldehyde derivative and preparation method thereof | 上海罕道医药科技有限公司 | 2021-08-24 | — | — | CN | claimed |
| CN-108947782-B | Bromofluoride multi-substituted benzaldehyde derivative and preparation method thereof | 上海罕道医药科技有限公司 | 2021-08-24 | — | — | CN | disclosed |