Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 SCHEMBL15568177 | 0.92 | MAPT (0.49) | BRD4KMT2AHDAC1KDM1AMAPT | |
| Trifluoroacetic Acid SCHEMBL15568324 | 0.92 | DRD2 (0.50) | KMT2ADRD2TBXA2RHDAC1NAMPT | |
| Trifluoroacetic Acid SCHEMBL15568649 | 0.88 | ALDH1A1 (0.57) | BRD4DRD2TBXA2RHDAC1NAMPT | |
| Trifluoroacetic Acid SCHEMBL15568514 | 0.84 | SLC2A1 (0.52) | HDAC1MAPTHDAC6HDAC8 | |
| Trifluoroacetic Acid SCHEMBL15568322 | 0.84 | ALDH1A1 (0.65) | KMT2ADRD2TBXA2RHDAC1NAMPT | |
| Trifluoroacetic Acid SCHEMBL15567575 | 0.84 | DRD3 (0.51) | DRD2MAPT | |
| SCHEMBL15567589 | 0.82 | ALDH1A1 (0.62) | BRD4DRD2TBXA2RHDAC1NAMPT | |
| Trifluoroacetic Acid SCHEMBL15568270 | 0.82 | MAPT (0.57) | BRD4KMT2ADRD2TBXA2RHDAC1 | |
| SCHEMBL15569016 | 0.80 | ALDH1A1 (0.51) | BRD4MAPTHRH3 | |
| Trifluoroacetic Acid SCHEMBL15568476 | 0.79 | MAPT (0.51) | BRD4KMT2ADRD2TBXA2RHDAC1 |
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 |