Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.36 |
| ▸ | RAF1 | P04049 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 2/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19415476 | 0.80 | ABL1 (0.31) | ABL1FYN | |
| SCHEMBL19415191 | 0.79 | RPS6KA3 (0.44) | RAF1BRAFKITRPS6KA3PLK1 | |
| SCHEMBL19415160 | 0.79 | RAF1 (0.32) | RAF1BRAF | |
| SCHEMBL19415146 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL10105111 | 0.72 | PSMB5 (0.49) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL22168548 | 0.71 | PSMB5 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL22625601 | 0.71 | KDR (0.42) | RAF1BRAFJAK3ABL1LCK | |
| SCHEMBL25715615 | 0.70 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL27895559 | 0.69 | ALDH1A1 (0.65) | ALDH1A1CYP2C19DHODH | |
| SCHEMBL14923566 | 0.69 | IRAK4 (0.46) | ALDH1A1PSMB5RAF1AKT2AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2271622-B1 | Heteroaryl derivatives as CFTR Modulators | VERTEX PHARMA (US) | 2017-10-04 | — | — | EP | disclosed |