Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11454422 | 0.88 | HDAC3 (0.50) | HDAC6HDAC3HDAC1HDAC2TDP1 | |
| SCHEMBL16825954 | 0.76 | LDHA (0.66) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL4115418 | 0.76 | LDHA (0.66) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL6481836 | 0.76 | LDHA (0.66) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11463275 | 0.75 | KMT2A (0.49) | HDAC6HDAC3HDAC1HDAC2LMNA | |
| SCHEMBL11453404 | 0.75 | CYP1A2 (0.46) | HDAC6HDAC3HDAC1HDAC2CYP1A2 | |
| SCHEMBL11461135 | 0.75 | HDAC3 (0.63) | HDAC6HDAC3HDAC1HDAC2GAA | |
| SCHEMBL3647440 | 0.74 | PTK2 (0.42) | HDAC6HDAC3HDAC1HDAC2GAA | |
| SCHEMBL8684275 | 0.74 | CYP1A2 (0.48) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL4262556 | 0.73 | CYP1A2 (0.77) | CYP1A2GAACYP2C9PKMCYP2C19 |
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-0013143-A2 | Substituted anilinopyrimidines, compositions and use thereof as herbicides, processes for their preparation and intermediates for use therein | ICI AUSTRALIA LIMITED (AU) | 1980-07-09 | — | — | EP | disclosed |