Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CFTR | P13569 | 2/20 | 0.40 |
| ▸ | ACSS2 | Q9NR19 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8516675 | 0.92 | KMT2A (0.38) | CA12CA1CA9CA2CFTR | |
| Trifluoroacetic Acid SCHEMBL8516143 | 0.91 | PAX8 (0.44) | CA12CA1CA9CA2CFTR | |
| Trifluoroacetic Acid SCHEMBL8516996 | 0.89 | ALDH1A1 (0.42) | CFTRCYP1A2CYP3A4CASP1CASP7 | |
| SCHEMBL8362802 | 0.88 | CYP1A2 (0.43) | CA12CA1CA9CA2ACSS2 | |
| Trifluoroacetic Acid SCHEMBL8365282 | 0.88 | CYP1A2 (0.44) | CA12CA1CA9CA2CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL8367881 | 0.86 | CYP1A2 (0.41) | CA12CA1CA9CA2CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL8368507 | 0.83 | BRD4 (0.43) | CA12CA1CA9CA2CFTR | |
| Trifluoroacetic Acid SCHEMBL8367871 | 0.81 | CFTR (0.46) | CA12CA1CA9CA2CFTR | |
| Trifluoroacetic Acid SCHEMBL8365292 | 0.80 | CFTR (0.44) | CA12CA1CA9CA2CFTR | |
| Trifluoroacetic Acid SCHEMBL8516150 | 0.80 | CFTR (0.47) | CA12CA1CA9CA2CFTR |
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-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |