Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA7 | P43166 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | MIF | P14174 | 1/20 | 0.46 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL13905447 | 1.00 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1504538 | 0.84 | ALOX15 (0.50) | CYP1A2KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL28410234 | 0.83 | ALOX15 (0.49) | CYP1A2KDM4EMAPT | |
| SCHEMBL13905450 | 0.83 | KDM4E (0.53) | CA12CA2CA7CA9CA14 | |
| SCHEMBL8830040 | 0.82 | CYP1A2 (0.56) | CYP1A2ALDH1A1SMN1; SMN2GAAKDM4E | |
| SCHEMBL2210778 | 0.81 | CYP1A2 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16048296 | 0.77 | TSHR (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11727413 | 0.77 | CYP1A2 (0.49) | CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL22397168 | 0.76 | CYP1A2 (0.40) | CYP1A2ALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL2202317 | 0.75 | MAOB (0.66) | CA12CA1CA2CA7CA9 |
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-111630051-B | Olefin spiro compounds as farnesol X receptor modulators | 百时美施贵宝公司 | 2023-12-26 | — | — | CN | disclosed |