Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | HTR7 | P34969 | 4/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL13925521 | 1.00 | CYP1A2 (0.50) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL3973971 | 0.84 | PIK3CD (0.50) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL23823660 | 0.83 | CYP1A2 (0.64) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL854696 | 0.82 | PIK3CD (0.48) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL4910227 | 0.82 | CYP1A2 (0.52) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL1097491 | 0.82 | CYP1A2 (0.52) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL297316 | 0.82 | CYP1A2 (0.52) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL24694352 | 0.82 | CYP1A2 (0.52) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL27370871 | 0.81 | HTR7 (0.49) | CYP1A2PIK3CDTDP1KDM1AHTR7 | |
| SCHEMBL27370143 | 0.81 | HTR7 (0.49) | CYP1A2PIK3CDTDP1KDM1AHTR7 |
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-2006074799-A2 | 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES | Universitätsklinikum Münster (DE) | 2006-07-20 | — | — | WO | disclosed |