Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 7/20 | 0.64 |
| ▸ | MAPT | P10636 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.57 |
| ▸ | COMT | P21964 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | PRKX | P51817 | 1/20 | 0.53 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9397169 | 0.96 | ALDH1A1 (0.72) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL9397148 | 0.82 | CYP3A4 (0.62) | ALDH1A1HTTLMNAMAPTSMN1; SMN2 | |
| SCHEMBL9397162 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL7047822 | 0.78 | ROCK2 (0.68) | ALDH1A1HTTLMNAMAPTSMN1; SMN2 | |
| SCHEMBL17960031 | 0.78 | COMT (0.60) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL17962258 | 0.77 | COMT (0.78) | LMNAMAPTTSHRCOMTCYP3A4 | |
| SCHEMBL9397274 | 0.77 | CYP3A4 (0.64) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL9398247 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL9398241 | 0.77 | TSHR (0.59) | ALDH1A1HTTPOLBLMNAMAPT | |
| SCHEMBL9398471 | 0.75 | CYP3A4 (0.90) | ALDH1A1HTTLMNAMAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5340811-A | Bronchodilator agent | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1994-08-23 | — | — | US | disclosed |
| EP-0471841-A1 | SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1992-02-26 | — | — | EP | disclosed |