Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9667839 | 0.91 | TDP1 (0.43) | TDP1ALDH1A1LMNASMN1; SMN2HTR4 | |
| SCHEMBL9669473 | 0.85 | TDP1 (0.43) | TDP1ALDH1A1LMNASMN1; SMN2HTR4 | |
| SCHEMBL9669804 | 0.85 | TDP1 (0.48) | TDP1ALDH1A1LMNASMN1; SMN2HTR4 | |
| SCHEMBL8998195 | 0.84 | TDP1 (0.42) | TDP1ALDH1A1LMNASMN1; SMN2HTR4 | |
| SCHEMBL9669675 | 0.80 | ALDH1A1 (0.42) | TDP1ALDH1A1LMNASMN1; SMN2HTR4 | |
| SCHEMBL9669740 | 0.80 | TDP1 (0.48) | TDP1ALDH1A1LMNASMN1; SMN2HTR4 | |
| SCHEMBL8998143 | 0.79 | TDP1 (0.42) | TDP1ALDH1A1LMNASMN1; SMN2HTR4 | |
| SCHEMBL9668025 | 0.78 | CYSLTR2 (0.43) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8951236 | 0.77 | CYSLTR2 (0.44) | ALDH1A1LMNAKDM4E | |
| SCHEMBL8998166 | 0.76 | GPR84 (0.55) | TDP1HTR4ROCK2ROCK1TRPV1 |
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-0227241-A2 | Medicinal indole and indazole keto sulphone derivatives | ZENECA INC. (US) | 1987-07-01 | — | — | EP | disclosed |