Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 15/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PDE6D | O43924 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL15569648 | 0.95 | HRH1 (0.55) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15568739 | 0.93 | HRH1 (0.59) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15568732 | 0.93 | LMNA (0.57) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15568628 | 0.92 | HRH1 (0.54) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15568655 | 0.92 | KMT2A (0.56) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15568005 | 0.91 | HRH1 (0.58) | HRH1CYP2D6CHRM1KCNH2MEN1 | |
| Trifluoroacetic Acid SCHEMBL15567477 | 0.91 | HRH1 (0.54) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15569418 | 0.90 | HRH1 (0.56) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15567399 | 0.90 | LMNA (0.56) | HRH1CYP2D6CHRM1KCNH2ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL15567418 | 0.87 | HRH1 (0.59) | HRH1CYP2D6CHRM1KCNH2HTR3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | claimed |
| WO-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | disclosed |