Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TRPM5 | Q9NZQ8 | 3/20 | 0.36 |
| ▸ | TRPM4 | Q8TD43 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531504 | 0.80 | PTGDR2 (0.40) | MEN1KMT2ASLC10A2 | |
| SCHEMBL17113440 | 0.73 | CA2 (0.44) | CA1CA2MEN1KMT2AALDH1A1 | |
| SCHEMBL7248919 | 0.72 | CA1 (0.50) | CA1CA2TRPM5TRPM4MEN1 | |
| SCHEMBL5612911 | 0.68 | KDM4E (0.55) | CYP19A1TRPM5TRPM4FDFT1ALDH1A1 | |
| SCHEMBL3579238 | 0.67 | CA1 (0.35) | CYP19A1CA1CA2TRPM5TRPM4 | |
| SCHEMBL9228116 | 0.67 | ALDH1A1 (0.70) | CYP19A1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL2070013 | 0.66 | DRD2 (0.49) | CYP19A1DRD2DRD1KDM1AMAOA | |
| SCHEMBL2152822 | 0.66 | DRD2 (0.49) | CYP19A1DRD2DRD1KDM1AMAOA | |
| SCHEMBL8885782 | 0.66 | DRD2 (0.46) | CYP19A1TRPM5TRPM4DRD2DRD1 | |
| SCHEMBL6055982 | 0.66 | DRD2 (0.49) | CYP19A1DRD2DRD1KDM1AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0526951-A1 | 3-Phenyl benzo b thiophenes as pesticidal compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-02-10 | — | — | EP | disclosed |