Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.39 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24253780 | 0.83 | CYP2D6 (0.48) | CYP2D6CYP1A2ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL24253970 | 0.81 | CYP2D6 (0.58) | CYP2D6CYP1A2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL24253870 | 0.79 | CYP2D6 (0.56) | CYP2D6CYP1A2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL13645932 | 0.71 | CYP1A2 (0.69) | CYP2D6CYP1A2ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL4018680 | 0.71 | CYP1A2 (0.69) | CYP2D6CYP1A2ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL15165725 | 0.71 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2GAAMAPTMEN1 | |
| SCHEMBL21766914 | 0.70 | CYP2D6 (0.65) | CYP2D6CYP1A2ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL31323039 | 0.70 | SMN1; SMN2 (0.66) | CYP2D6CYP1A2ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL8149995 | 0.68 | CYP1A2 (0.67) | CYP2D6CYP1A2ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL4993839 | 0.67 | CYP1A2 (0.67) | CYP2D6CYP1A2ALDH1A1KDM4ESMN1; SMN2 |
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-2022034587-A1 | Traf2- AND Nck-INTERACTING KINASE (TNIK) INHIBITORS AND USES THEREOF | TNIK THERAPEUTICS LTD (IL) | 2022-02-17 | — | — | WO | disclosed |