Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310387 | 0.89 | CTSC (0.35) | — | |
| SCHEMBL24309841 | 0.88 | PTK2 (0.34) | — | |
| SCHEMBL24310812 | 0.86 | — | — | |
| SCHEMBL24310647 | 0.86 | HTR1A (0.33) | KDM4ECYP1A2CYP2C9CYP2C19ATM | |
| SCHEMBL24310169 | 0.81 | FLT4 (0.31) | — | |
| SCHEMBL24309610 | 0.80 | — | — | |
| SCHEMBL26808497 | 0.76 | CTSC (0.34) | — | |
| SCHEMBL29566490 | 0.76 | CTSC (0.34) | — | |
| SCHEMBL24310416 | 0.75 | USP1 (0.32) | — | |
| SCHEMBL29566808 | 0.75 | DAPK1 (0.36) | KDM4E |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |