Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | HTT | P42858 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PDE6D | O43924 | 2/20 | 0.52 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15568648 | 0.94 | ALDH1A1 (0.61) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15569242 | 0.92 | ALDH1A1 (0.61) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15568323 | 0.88 | ALDH1A1 (0.52) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15569016 | 0.86 | ALDH1A1 (0.51) | ALDH1A1HTTSMN1; SMN2MAPTHPGD | |
| SCHEMBL15568269 | 0.86 | ALDH1A1 (0.57) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15569279 | 0.85 | ALDH1A1 (0.57) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15569064 | 0.84 | ALDH1A1 (0.59) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15567143 | 0.83 | ALDH1A1 (0.58) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| SCHEMBL15568475 | 0.83 | ALDH1A1 (0.53) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E | |
| Trifluoroacetic Acid SCHEMBL15568322 | 0.80 | ALDH1A1 (0.65) | ALDH1A1HTTSMN1; SMN2MAPTKDM4E |
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 |