Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 8/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3954915 | 0.85 | MEN1 (0.46) | CYP2C19CYP2C9HTTTSHRALDH1A1 | |
| SCHEMBL18562084 | 0.82 | KMT2A (0.37) | HTTTSHRALDH1A1CYP3A4MAPK1 | |
| SCHEMBL21064678 | 0.82 | ALDH1A1 (0.41) | LTA4HCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16059019 | 0.81 | CALM1 (0.42) | CYP2D6CALM1TSHRALDH1A1MEN1 | |
| SCHEMBL15315298 | 0.79 | ALDH1A1 (0.35) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| Diphenylmethane SCHEMBL28092535 | 0.78 | CALM1 (0.63) | LTA4HCYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11315356 | 0.77 | TSHR (0.50) | LTA4HTSHRALDH1A1MEN1KMT2A | |
| SCHEMBL11579761 | 0.77 | ALDH1A1 (0.49) | CYP2C19HTTCNR2TSHRALDH1A1 | |
| SCHEMBL20207410 | 0.77 | ALDH1A1 (0.37) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL11694085 | 0.76 | ALDH1A1 (0.41) | CYP2C19CYP2C9ALDH1A1CYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006012683-A1 | CHEMICAL PROCESSES AND COMPOUNDS DERIVED THEREFROM | MONASH UNIVERSITY (AU) | 2006-02-09 | — | — | WO | disclosed |