Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | CCR1 | P32246 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.47 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27529773 | 0.82 | CA12 (0.57) | TDP1TP53CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5187972 | 0.81 | SLC22A12 (0.47) | PTGESCCR1MMP7SLC22A12 | |
| SCHEMBL3692624 | 0.79 | CA12 (0.55) | ALDH1A1CYP2C9PTGESCCR1MMP7 | |
| Hydrochloric Acid SCHEMBL6795038 | 0.79 | SCN1A (0.61) | ALDH1A1TDP1TP53KDM4ECYP1A2 | |
| SCHEMBL10628674 | 0.78 | MMP7 (0.48) | PTGESCCR1MMP7SLC22A12 | |
| SCHEMBL411204 | 0.78 | TDP1 (0.74) | ALDH1A1TDP1POLBTP53GAA | |
| SCHEMBL22489777 | 0.78 | SLC22A12 (0.47) | PTGESMMP7SLC22A12 | |
| SCHEMBL1287452 | 0.77 | ALDH1A1 (0.59) | ALDH1A1TDP1POLBTP53GAA | |
| SCHEMBL1287345 | 0.77 | ALDH1A1 (0.72) | ALDH1A1TDP1POLBTP53GAA | |
| SCHEMBL6020640 | 0.75 | SLC22A12 (0.57) | PTGESMMP7SLC22A12 |
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 |