Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 10/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 3/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KCNQ4 | P56696 | 2/20 | 0.40 |
| ▸ | KCNQ5 | Q9NR82 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7390764 | 0.81 | ALDH1A1 (0.41) | NLRP3SMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7384085 | 0.81 | NLRP3 (0.46) | NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7387537 | 0.79 | NLRP3 (0.54) | NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4853186 | 0.74 | ALDH1A1 (0.45) | NLRP3SMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7384359 | 0.74 | GAA (0.42) | NLRP3SMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL7391713 | 0.72 | NLRP3 (0.41) | NLRP3SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1549923 | 0.72 | NLRP3 (0.48) | NLRP3CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL25235299 | 0.71 | GAA (0.51) | NLRP3ALDH1A1KDM4E | |
| SCHEMBL7394140 | 0.71 | NLRP3 (0.57) | NLRP3CYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL29485565 | 0.71 | ALDH1A1 (0.47) | NLRP3SMN1; SMN2CYP1A2CYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5905068-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1999-05-18 | — | — | US | disclosed |