Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | XPO1 | O14980 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11217270 | 0.78 | HDAC1 (0.46) | HDAC1HDAC6ALDH1A1HPGDCYP1A2 | |
| SCHEMBL11043537 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HPGDTDP1LMNAKDM4E | |
| SCHEMBL18010782 | 0.74 | KDM4E (0.43) | ATMALDH1A1HPGDCYP1A2MAPK1 | |
| SCHEMBL10940616 | 0.72 | ATM (0.44) | ATMALDH1A1HPGDLMNAKDM4E | |
| SCHEMBL10947181 | 0.68 | HSD11B1 (0.53) | ALDH1A1HPGDTDP1LMNAKDM4E | |
| SCHEMBL8334314 | 0.66 | NPY5R (0.39) | HDAC1HDAC6ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9829202 | 0.65 | HSD11B1 (0.48) | ATMEGFRTUBB4ATUBBTUBA3C | |
| SCHEMBL463113 | 0.64 | — | — | |
| SCHEMBL11776737 | 0.64 | — | — | |
| SCHEMBL11838176 | 0.64 | — | — |
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-0036711-A2 | Pesticidal heterocyclic compounds, processes for preparing them, compositions containing them, and their use | FBC LIMITED (GB) | 1981-09-30 | — | — | EP | disclosed |