Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIA | P62937 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL224931 | 0.84 | GPR3 (0.41) | ALDH1A1TSHRMEN1KMT2ACYP2D6 | |
| SCHEMBL29711937 | 0.84 | GPR3 (0.41) | ALDH1A1TSHRMEN1KMT2ACYP2D6 | |
| SCHEMBL11483825 | 0.82 | CYP2A6 (0.36) | ALDH1A1TP53HSD17B10HPGDMAPK1 | |
| SCHEMBL27818816 | 0.82 | GPR3 (0.39) | ALDH1A1TSHRMEN1KMT2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL27768859 | 0.82 | GPR3 (0.39) | ALDH1A1TSHRMEN1KMT2ACYP2D6 | |
| SCHEMBL28243519 | 0.80 | HTR2A (0.34) | ALDH1A1CA1CA2HDAC3HDAC4 | |
| Methylamine SCHEMBL27789000 | 0.78 | GPR3 (0.41) | TP53HSD17B10MAPK1MEN1CYP3A4 | |
| SCHEMBL27389792 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TP53HSD17B10HPGDMAPK1 | |
| SCHEMBL8518637 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TP53HSD17B10HPGDMAPK1 | |
| SCHEMBL15048581 | 0.76 | CYP1A2 (0.45) | ALDH1A1MAPK1MEN1KMT2ACYP2A6 |
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-0182609-B1 | POLYCYCLIC BIOCIDAL COMPOUNDS, THEIR SYNTHESIS, FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-05-09 | — | — | EP | disclosed |