Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | KRAS | P01116 | 2/20 | 0.47 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | COMT | P21964 | 1/20 | 0.45 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.45 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.45 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15807358 | 0.89 | MAOA (0.50) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL20244282 | 0.86 | MAOB (0.67) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL15807359 | 0.84 | MAOB (0.71) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL15807292 | 0.82 | MAPT (0.53) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL14318104 | 0.81 | MAOA (0.54) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL15795973 | 0.81 | MAOA (0.54) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL15807325 | 0.81 | MAPT (0.70) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL15807304 | 0.80 | MAPT (0.66) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL29083859 | 0.77 | TYR (0.65) | MAOAMAOBALDH1A1LMNAMAPT | |
| SCHEMBL27631290 | 0.77 | TYR (0.65) | MAOAMAOBALDH1A1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3333153-A1 | NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER | The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) | 2018-06-13 | — | — | EP | disclosed |