Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | PDE6D | O43924 | 2/20 | 0.55 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.55 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.55 |
| ▸ | MLYCD | O95822 | 2/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 SCHEMBL15568526 | 0.91 | MAPT (0.58) | MAPTALDH1A1PDE6DALDH2ALDH3A1 | |
| Trifluoroacetic Acid SCHEMBL15568649 | 0.90 | ALDH1A1 (0.57) | MAPTALDH1A1PDE6DALDH2ALDH3A1 | |
| Trifluoroacetic Acid SCHEMBL15569563 | 0.88 | MAPT (0.48) | MAPTALDH1A1PDE6DALDH2ALDH3A1 | |
| Trifluoroacetic Acid SCHEMBL15568270 | 0.84 | MAPT (0.57) | MAPTALDH1A1PDE6DALDH2ALDH3A1 | |
| Trifluoroacetic Acid SCHEMBL15567957 | 0.83 | LMNA (0.51) | MAPTALDH1A1PDE6DALDH2ALDH3A1 | |
| Trifluoroacetic Acid SCHEMBL15567575 | 0.83 | DRD3 (0.51) | MAPTDRD2TP53LMNA | |
| Trifluoroacetic Acid SCHEMBL15568322 | 0.82 | ALDH1A1 (0.65) | MAPTALDH1A1PDE6DALDH2ALDH3A1 | |
| SCHEMBL15568035 | 0.81 | ALDH1A1 (0.60) | MAPTALDH1A1PDE6DALDH2ALDH3A1 | |
| Trifluoroacetic Acid SCHEMBL15568144 | 0.81 | TMEM97 (0.58) | DRD2HDAC4SMN1; SMN2TP53LMNA | |
| SCHEMBL15567589 | 0.81 | ALDH1A1 (0.62) | MAPTALDH1A1PDE6DALDH2ALDH3A1 |
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 |