Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 5/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | NSD2 | O96028 | 2/20 | 0.49 |
| ▸ | THPO | P40225 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2875881 | 0.86 | ALDH1A1 (0.58) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL29508099 | 0.81 | CYP3A4 (1.00) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL317956 | 0.81 | CYP3A4 (1.00) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL9577190 | 0.79 | CYP3A4 (0.72) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL9659233 | 0.79 | ALDH1A1 (0.64) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL9577205 | 0.78 | CYP3A4 (0.75) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL411204 | 0.78 | TDP1 (0.74) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL1287452 | 0.77 | ALDH1A1 (0.59) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL2880609 | 0.77 | ALDH1A1 (0.56) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 | |
| SCHEMBL12916500 | 0.77 | FABP4 (0.51) | CYP1A2CYP3A4CYP2C19ALDH1A1TDP1 |
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 |