Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 4/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 5/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.34 |
| ▸ | MAOB | P27338 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.34 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.34 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.34 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.34 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23364721 | 1.00 | DDB1 (0.41) | DDB1CRBNTRPA1CYP3A4CASP1 | |
| SCHEMBL29932791 | 0.80 | KDM1A (0.44) | TRPA1ALDH1A1KDM1AATP1A1ATP1B1 | |
| SCHEMBL23364732 | 0.80 | KDM1A (0.44) | TRPA1ALDH1A1KDM1AATP1A1ATP1B1 | |
| SCHEMBL27545833 | 0.78 | TRPA1 (0.58) | TRPA1KDM1AMAOAMAOBATP1A1 | |
| SCHEMBL23364793 | 0.76 | TRPA1 (0.39) | TRPA1ALDH1A1KDM1AATP1A1ATP1B1 | |
| SCHEMBL29411064 | 0.76 | CYP3A4 (0.50) | DDB1CRBNCYP3A4CASP1RECQL | |
| SCHEMBL273350 | 0.76 | CYP3A4 (0.50) | DDB1CRBNCYP3A4CASP1RECQL | |
| SCHEMBL23713634 | 0.75 | TRPA1 (0.41) | DDB1CRBNTRPA1CYP3A4CASP1 | |
| SCHEMBL23258718 | 0.75 | HDAC4 (0.45) | TRPA1ATP1A1ATP1B1ATP1A3ATP1B2 | |
| SCHEMBL23250714 | 0.75 | HDAC4 (0.45) | TRPA1ATP1A1ATP1B1ATP1A3ATP1B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115003659-A | 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity | 健赞公司 | 2022-09-02 | — | — | CN | disclosed |