Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.61 |
| ▸ | CA2 | P00918 | 5/20 | 0.61 |
| ▸ | CA5A | P35218 | 5/20 | 0.61 |
| ▸ | CA9 | Q16790 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4124865 | 0.80 | CA1 (0.67) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL18316472 | 0.78 | CA1 (0.64) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL14104958 | 0.77 | CA1 (0.47) | CA1CA2CA5ACA9ALDH1A1 | |
| Phenyldifluoromethanesulfonamide SCHEMBL187768 | 0.76 | CA1 (1.00) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL3870301 | 0.76 | PTPN1 (0.67) | CA1CA2CA5ACA9ALDH1A1 | |
| Trifluoromethylbenzene SCHEMBL27619944 | 0.74 | ALDH1A1 (0.64) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL12161965 | 0.73 | NR3C2 (0.47) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL27899372 | 0.73 | NR3C2 (0.42) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL296761 | 0.73 | CA2 (0.57) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL2990556 | 0.73 | CA1 (0.57) | CA1CA2CA5ACA9ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112251-B1 | AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | AVENTIS PHARMA SA (FR) | 2003-05-07 | — | — | EP | disclosed |
| EP-1112251-A1 | AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015609-A1 | AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM | AVENTIS PHARMA S.A. (FR) | 2000-03-23 | — | — | WO | disclosed |