Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 5/20 | 0.51 |
| ▸ | MMP1 | P03956 | 2/20 | 0.51 |
| ▸ | MMP3 | P08254 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3192979 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3192988 | 1.00 | CYP2D6 (0.53) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6362675 | 0.89 | ALDH1A1 (0.60) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14031959 | 0.89 | ALDH1A1 (0.60) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14068912 | 0.87 | ALDH1A1 (0.54) | CYP2D6CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL3186139 | 0.85 | MMP2 (0.54) | CYP2D6CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL3186141 | 0.85 | MMP2 (0.54) | CYP2D6CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL1287373 | 0.81 | ALDH1A1 (0.68) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1287280 | 0.81 | ALDH1A1 (0.68) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 | |
| Acetic Acid SCHEMBL8970513 | 0.79 | POLB (0.68) | CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9 |
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-2012047926-A2 | SULFONAMIDE-CONTAINING COMPOUNDS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-04-12 | — | — | WO | disclosed |