Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8832281 | 0.76 | ALDH1A1 (0.42) | BRD4ALDH1A1HPGDKDM4EDRD4 | |
| SCHEMBL8067885 | 0.74 | BRD4 (0.31) | BRD4PKMKMT2AMEN1 | |
| SCHEMBL21776969 | 0.71 | CES1 (0.37) | BRD4DRD4CES1 | |
| SCHEMBL836302 | 0.70 | SOS1 (0.33) | BRD4ALDH1A1HPGDKDM4ECES1 | |
| SCHEMBL18726992 | 0.69 | SMN1; SMN2 (0.42) | SMN1; SMN2 | |
| SCHEMBL15747174 | 0.69 | KDM4E (0.34) | ALDH1A1KDM4ELMNASMN1; SMN2 | |
| SCHEMBL14481407 | 0.67 | CYP1A2 (0.38) | ALDH1A1TSHRKMT2AMEN1KDM4E | |
| SCHEMBL20963024 | 0.67 | ALDH1A1 (0.36) | ALDH1A1LMNA | |
| SCHEMBL22223887 | 0.67 | TDP1 (0.31) | ALDH1A1KMT2AMEN1HPGDKDM4E | |
| SCHEMBL18020317 | 0.66 | CYP11B2 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5110989-A | Pre- and postemergence; plant growth regulators | ICI AUSTRALIA LIMITED (AU) | 1992-05-05 | — | — | US | disclosed |
| US-4952722-A | CYCLOHEX-2-EN-1-ONE DERIVATIVES; HERBICIDES | ICI AUSTRALIA LIMITED (AU) | 1990-08-28 | — | — | US | disclosed |
| EP-0086588-B1 | CYCLOHEXANEDIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM | ICI AUSTRALIA LIMITED (AU) | 1987-07-01 | — | — | EP | disclosed |
| EP-0086588-A2 | Cyclohexanedione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them | ICI AUSTRALIA LIMITED (AU) | 1983-08-24 | — | — | EP | disclosed |