Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.47 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | ITK | Q08881 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
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 SCHEMBL8516660 | 0.97 | CFTR (0.46) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8516149 | 0.92 | CFTR (0.45) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8368543 | 0.92 | CFTR (0.42) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8367871 | 0.91 | CFTR (0.46) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8515708 | 0.90 | CFTR (0.46) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8516818 | 0.89 | CFTR (0.42) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8515904 | 0.88 | ALDH1A1 (0.45) | CFTRUSP2ALDH1A1CYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL8516484 | 0.87 | CFTR (0.45) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8365292 | 0.85 | CFTR (0.44) | CFTRACSS2CA12CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL8516292 | 0.85 | ALDH1A1 (0.44) | CFTRUSP2ALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | claimed |
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |