Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | PRKX | P51817 | 2/20 | 0.41 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.41 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.41 |
| ▸ | CCKBR | P32239 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9397252 | 0.83 | FTO (0.40) | CYP3A4NFKB1TSHRTHPOHIF1A | |
| SCHEMBL9398259 | 0.80 | PRKD3 (0.61) | CYP3A4NFKB1TSHRTHPOHIF1A | |
| SCHEMBL9397241 | 0.78 | FTO (0.43) | CYP3A4NFKB1TSHRTHPOHIF1A | |
| SCHEMBL16000113 | 0.78 | LMNA (0.50) | CYP3A4NFKB1TSHRTHPOHIF1A | |
| SCHEMBL9398471 | 0.75 | CYP3A4 (0.90) | CYP3A4NFKB1TSHRTHPOHIF1A | |
| SCHEMBL9397203 | 0.75 | PRKD3 (0.61) | CYP3A4NFKB1TSHRTHPOHIF1A | |
| SCHEMBL9397301 | 0.75 | TSHR (0.57) | CYP3A4NFKB1TSHRTHPOHIF1A | |
| SCHEMBL9398247 | 0.75 | ALDH1A1 (0.54) | CYP3A4LMNAMAPTCYP2D6CYP2C19 | |
| SCHEMBL9349827 | 0.74 | HTR1A (0.51) | HTR1AHTR6HTR7DRD2KCNH2 | |
| SCHEMBL9397253 | 0.73 | MAPK1 (0.51) | CYP3A4NFKB1LMNAHTR1ADRD2 |
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 |