Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27277478 | 0.82 | KDM4E (0.41) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| SCHEMBL9185685 | 0.81 | KDM4E (0.45) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| SCHEMBL3917900 | 0.79 | KDM4E (0.41) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| SCHEMBL25660483 | 0.79 | KDM4E (0.41) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| SCHEMBL20298478 | 0.77 | CPB2 (0.37) | — | |
| SCHEMBL5376656 | 0.77 | KDM4E (0.41) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| SCHEMBL28895447 | 0.75 | KDM4E (0.40) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| SCHEMBL10049051 | 0.75 | KDM4E (0.39) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| Acetic Acid SCHEMBL4904233 | 0.74 | KDM4E (0.43) | KDM4EALDH1A1TDP1PKMCYP1A2 | |
| SCHEMBL28277857 | 0.74 | SLC1A3 (0.38) | — |
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-3468526-B1 | FRAGRANCE MATERIAL | TAKASAGO PERFUMERY CO LTD (JP) | 2021-05-12 | — | — | EP | claimed |