Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.43 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3258334 | 0.87 | CA2 (0.50) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL1268442 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CXCR1CXCR2CA1CA2 | |
| SCHEMBL6991225 | 0.79 | CA1 (0.48) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL13527822 | 0.79 | CA2 (0.50) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL17891745 | 0.79 | CA2 (0.44) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL5326194 | 0.79 | CA2 (0.42) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL980388 | 0.78 | CA1 (0.44) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL1284072 | 0.78 | CA1 (0.43) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL1422315 | 0.78 | CA1 (0.43) | ALDH1A1CA1CA2CA9LMNA | |
| SCHEMBL1246773 | 0.78 | CA2 (0.48) | ALDH1A1CA1CA2CA9PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009109998-A1 | NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS | LUPIN LIMITED (IN) | 2009-09-11 | — | — | WO | disclosed |