Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL9062618 | 0.87 | CYP3A4 (0.48) | TDP1ALDH1A1CYP3A4ALOX15CES2 | |
| SCHEMBL333161 | 0.81 | MAPT (0.62) | TDP1ALDH1A1CYP3A4ALOX15CES2 | |
| SCHEMBL6815300 | 0.81 | MAPT (0.62) | TDP1ALDH1A1CYP3A4ALOX15CES2 | |
| SCHEMBL7095150 | 0.81 | CES1 (0.62) | TDP1ALDH1A1CES2KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9858112 | 0.79 | PRSS1 (0.46) | TDP1ALDH1A1CYP3A4ALOX15CES2 | |
| SCHEMBL30874786 | 0.79 | TDP1 (0.51) | TDP1ALDH1A1CYP3A4ALOX15CES2 | |
| SCHEMBL8723076 | 0.79 | TDP1 (0.51) | TDP1ALDH1A1CYP3A4ALOX15CES2 | |
| Methyl Alcohol SCHEMBL28297623 | 0.79 | MAPT (0.59) | TDP1ALDH1A1CYP3A4ALOX15CES2 | |
| SCHEMBL9853492 | 0.75 | SMN1; SMN2 (0.77) | TDP1ALDH1A1CYP3A4ALOX15GFER | |
| SCHEMBL11462656 | 0.74 | ELANE (0.42) | TDP1ALDH1A1CYP3A4ALOX15KMT2A |
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-0433526-A1 | Medicine for the treatment of heart-circulatory illnesses, of arrhythmics in particular | Richter, Peter, Prof. Dr.sc.nat. (DE) | 1991-06-26 | — | — | EP | disclosed |