Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2831664 | 0.74 | SHMT2 (0.44) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL12326180 | 0.67 | CA1 (0.50) | KDM4EALDH1A1HPGDGAACYP1A2 | |
| SCHEMBL17178327 | 0.65 | NPC1 (0.44) | GAANPC1 | |
| SCHEMBL17178230 | 0.65 | CYP1A2 (0.48) | ALDH1A1HPGDGAACYP1A2CYP2C9 | |
| SCHEMBL14277777 | 0.64 | NPC1 (0.67) | KDM4EALDH1A1HPGDHSD17B10GAA | |
| SCHEMBL30532385 | 0.64 | MEN1 (0.43) | ALDH1A1HPGDGAACYP1A2CYP2C9 | |
| SCHEMBL29083061 | 0.62 | ESR2 (0.59) | KDM4EGAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14301863 | 0.62 | MEN1 (0.52) | KDM4EHPGDHSD17B10GAAMAOB | |
| SCHEMBL17178251 | 0.62 | CYP11B1 (0.50) | HPGDCYP1A2CYP2C9CYP2C19CA1 | |
| SCHEMBL16226807 | 0.62 | ELANE (0.68) | KDM4EALDH1A1HPGDCA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5977029-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-11-02 | — | — | US | disclosed |
| EP-0879232-A1 | 3-ARYL-5-HALOGEN-PYRONE DERIVATIVES AS PEST CONTROL AGENTS | BAYER AG (DE) | 1998-11-25 | — | — | EP | disclosed |
| WO-1997016436-A1 | 3-ARYL-5-HALOGEN-PYRONE DERIVATIVES AS PEST CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-05-09 | — | — | WO | disclosed |