Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL28986107 | 0.83 | EPHX1 (0.45) | KMT2AHTTCYP2D6CYP2C19EPHX1 | |
| Piperazine SCHEMBL29116800 | 0.81 | KMT2A (0.44) | KMT2AHTTCYP2D6CYP2C19EPHX1 | |
| SCHEMBL10011 | 0.80 | — | — | |
| Bromide SCHEMBL1729291 | 0.77 | — | — | |
| Phosphine SCHEMBL28376179 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27431624 | 0.77 | — | — | |
| Propane SCHEMBL28986125 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29551256 | 0.77 | CYP2D6 (0.46) | KMT2AHTTCYP2D6CYP2C19MMP1 | |
| Water SCHEMBL28848094 | 0.77 | MCL1 (0.46) | KMT2AHTTCYP2D6CYP2C19MMP1 | |
| SCHEMBL29275148 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1791816-A1 | IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS | Bayer CropScience Aktiengesellschaft (DE) | 2007-06-06 | — | — | EP | disclosed |
| WO-2006029799-A1 | IODINE-PHENYL-SUBSTITUTED CYCLIC CETOENOLS | BAYER CROPSCIENCE AG (DE) | 2006-03-23 | — | — | WO | disclosed |