Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2559832 | 0.98 | HRH3 (0.40) | HRH3HRH4ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL3116028 | 0.72 | — | — | |
| SCHEMBL12956814 | 0.69 | HRH3 (0.45) | HRH3HRH4ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL12468741 | 0.68 | HRH3 (0.43) | HRH3HRH4ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL1681215 | 0.68 | HRH3 (0.43) | HRH3HRH4ALDH1A1KDM4ECYP2D6 | |
| SCHEMBL4012084 | 0.67 | — | — | |
| SCHEMBL6846074 | 0.67 | — | — | |
| SCHEMBL3469383 | 0.67 | ALDH1A1 (0.31) | ALDH1A1TDP1 | |
| SCHEMBL2448655 | 0.67 | HTR3A (0.33) | HRH4 | |
| SCHEMBL2554795 | 0.65 | HRH3 (0.40) | HRH3HRH4ALDH1A1KDM4ECYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083617-A1 | ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS | Chiesi Farmaceutici S.p.A. (IT) | 2016-10-26 | — | — | EP | claimed |
| WO-2015091685-A1 | ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2015-06-25 | — | — | WO | claimed |
| EP-2215085-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | AstraZeneca AB (SE) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009053737-A2 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2009-04-30 | — | — | WO | disclosed |