Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | PDE6D | O43924 | 2/20 | 0.62 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.62 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 4/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | BRD4 | O60885 | 1/20 | 0.53 |
| ▸ | RORC | P51449 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL15567212 | 1.00 | ALDH1A1 (0.62) | ALDH1A1PDE6DALDH2ALDH3A1LMNA | |
| SCHEMBL15568035 | 0.89 | ALDH1A1 (0.60) | ALDH1A1PDE6DALDH2ALDH3A1LMNA | |
| SCHEMBL15567589 | 0.86 | ALDH1A1 (0.62) | ALDH1A1PDE6DALDH2ALDH3A1LMNA | |
| SCHEMBL15567152 | 0.86 | ALDH1A1 (0.72) | ALDH1A1PDE6DALDH2ALDH3A1LMNA | |
| Trifluoroacetic Acid SCHEMBL15568649 | 0.81 | ALDH1A1 (0.57) | ALDH1A1PDE6DALDH2ALDH3A1LMNA | |
| Trifluoroacetic Acid SCHEMBL15567806 | 0.81 | RORC (0.61) | ALDH1A1PDE6DALDH2ALDH3A1HTT | |
| SCHEMBL15568012 | 0.80 | SIGMAR1 (0.65) | — | |
| SCHEMBL15568178 | 0.79 | ALDH1A1 (0.74) | ALDH1A1PDE6DALDH2ALDH3A1LMNA | |
| SCHEMBL15569395 | 0.79 | ALDH1A1 (0.78) | ALDH1A1PDE6DALDH2ALDH3A1LMNA | |
| SCHEMBL229828 | 0.78 | ALDH1A1 (1.00) | ALDH1A1PDE6DALDH2ALDH3A1LMNA |
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 |