Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | GFER | P55789 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 5/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | HRH1 | P35367 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL15567362 | 0.76 | HRH1 (0.69) | CYP2D6HTTALDH1A1KMT2AHRH1 | |
| SCHEMBL15452490 | 0.73 | HRH1 (0.65) | CYP2D6CYP3A4ALDH1A1HRH1KCNH2 | |
| SCHEMBL18286772 | 0.73 | CYP1A2 (0.71) | CYP2D6CYP1A2CYP3A4CYP2C19GFER | |
| Trifluoroacetic Acid SCHEMBL15568340 | 0.73 | HRH1 (0.53) | CYP2D6HRH1KCNH2HTR3A | |
| SCHEMBL2355330 | 0.71 | MAPT (0.78) | CYP2D6CYP1A2CYP3A4CYP2C19GFER | |
| Trifluoroacetic Acid SCHEMBL15568005 | 0.71 | HRH1 (0.58) | CYP2D6TP53KMT2AHRH1KCNH2 | |
| SCHEMBL15568738 | 0.71 | HRH1 (0.54) | CYP2D6TP53HTTALDH1A1KMT2A | |
| SCHEMBL12811672 | 0.71 | SOS1 (0.60) | CYP2D6ALDH1A1KMT2AHRH1MEN1 | |
| SCHEMBL15569146 | 0.70 | HRH1 (0.56) | CYP2D6HTTALDH1A1KMT2AHRH1 | |
| Trifluoroacetic Acid SCHEMBL15568739 | 0.70 | HRH1 (0.59) | CYP2D6TP53HTTALDH1A1KMT2A |
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 |