Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | MYLK | Q15746 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | GMNN | O75496 | 2/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | COMT | P21964 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL9397274 | 0.95 | CYP3A4 (0.64) | CYP3A4NFKB1CYP2D6MYLKCYP1A2 | |
| SCHEMBL17962258 | 0.83 | COMT (0.78) | CYP3A4NFKB1CYP1A2LMNAMAPT | |
| SCHEMBL9397254 | 0.82 | ALDH1A1 (0.67) | CYP3A4NFKB1CYP2D6MYLKCYP1A2 | |
| SCHEMBL9398471 | 0.81 | CYP3A4 (0.90) | CYP3A4NFKB1CYP2D6MYLKCYP1A2 | |
| SCHEMBL2908958 | 0.79 | ROCK2 (0.75) | CYP3A4NFKB1CYP2D6MYLKCYP1A2 | |
| SCHEMBL9397252 | 0.78 | FTO (0.40) | CYP3A4NFKB1CYP2D6MYLKCYP1A2 | |
| SCHEMBL9397262 | 0.78 | TSHR (0.54) | KMT2AMAPTCOMTTSHRKDM4E | |
| Hydrochloric Acid SCHEMBL1986979 | 0.78 | CYP3A4 (0.95) | CYP3A4NFKB1CYP2D6MYLKCYP1A2 | |
| SCHEMBL2869228 | 0.77 | CYP3A4 (1.00) | CYP3A4NFKB1CYP2D6MYLKCYP1A2 | |
| SCHEMBL9397169 | 0.77 | ALDH1A1 (0.72) | CYP3A4NFKB1CYP2D6KMT2ALMNA |
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 |