Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 10/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.50 |
| ▸ | PPARG | P37231 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.45 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15567868 | 0.89 | HRH1 (0.51) | HRH1CYP2D6CHRM1KCNH2ALDH1A2 | |
| SCHEMBL15568004 | 0.86 | HRH1 (0.51) | HRH1CYP2D6CHRM1PPARGKCNH2 | |
| SCHEMBL15567781 | 0.86 | HRH1 (0.55) | HRH1CYP2D6CHRM1KCNH2CCR3 | |
| SCHEMBL15569123 | 0.84 | HRH1 (0.53) | HRH1CYP2D6CHRM1KCNH2CCR3 | |
| SCHEMBL15567224 | 0.83 | HRH1 (0.55) | HRH1CYP2D6CHRM1KCNH2 | |
| SCHEMBL15569414 | 0.83 | HRH1 (0.56) | HRH1CYP2D6CHRM1KCNH2 | |
| SCHEMBL15568082 | 0.82 | HRH1 (0.47) | HRH1CYP2D6CHRM1KCNH2CCR3 | |
| SCHEMBL15568411 | 0.82 | HRH1 (0.48) | HRH1CYP2D6CHRM1KCNH2CCR3 | |
| SCHEMBL15567989 | 0.81 | HRH1 (0.54) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| SCHEMBL15567917 | 0.81 | HRH1 (0.62) | HRH1CYP2D6CHRM1KCNH2 |
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-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | disclosed |