Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HRH1 | P35367 | 12/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.49 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.49 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | PDE6D | O43924 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | 0.92 | HRH1 (0.55) | KMT2AHRH1CYP2D6CHRM1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL15568636 | 0.92 | HRH1 (0.59) | KMT2ATSHRHRH1CYP2D6CHRM1 | |
| Trifluoroacetic Acid SCHEMBL15567399 | 0.89 | LMNA (0.56) | KMT2ATSHRHRH1CYP2D6CHRM1 | |
| Trifluoroacetic Acid SCHEMBL15568732 | 0.87 | LMNA (0.57) | KMT2AHRH1CYP2D6CHRM1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL15568005 | 0.85 | HRH1 (0.58) | KMT2AHRH1CYP2D6CHRM1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL15568739 | 0.85 | HRH1 (0.59) | KMT2AHRH1CYP2D6CHRM1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL15568628 | 0.84 | HRH1 (0.54) | KMT2AHRH1CYP2D6CHRM1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL15569418 | 0.84 | HRH1 (0.56) | KMT2AHRH1CYP2D6CHRM1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL15567477 | 0.84 | HRH1 (0.54) | KMT2AHRH1CYP2D6CHRM1KCNH2 | |
| Trifluoroacetic Acid SCHEMBL15567418 | 0.82 | HRH1 (0.59) | TSHRHRH1CYP2D6CHRM1KCNH2 |
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 |