Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7014708 | 0.83 | ELANE (0.49) | PARP1HRH3KCNH2ELANEKDM4E | |
| SCHEMBL30396052 | 0.82 | PRMT5 (0.61) | PARP1ELANEPRMT5KDM4EDPP4 | |
| SCHEMBL16597158 | 0.80 | GAA (0.53) | PARP1HRH3KCNH2 | |
| SCHEMBL15840329 | 0.80 | PARP1 (0.51) | PARP1HRH3KCNH2NPC1KDM4E | |
| SCHEMBL15840530 | 0.80 | KDM4E (0.38) | NPC1POLBRAB9ACYP1A2KDM4E | |
| SCHEMBL15519378 | 0.80 | CHEK1 (0.41) | PARP1ELANEKDM4E | |
| SCHEMBL15840741 | 0.80 | HCAR1 (0.37) | PARP1HRH3KCNH2NPC1POLB | |
| SCHEMBL15457156 | 0.80 | PDE10A (0.45) | PARP1HRH3KCNH2ELANEPRMT5 | |
| SCHEMBL16309055 | 0.79 | ELANE (0.53) | ELANECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18923546 | 0.78 | HRH3 (0.57) | HRH3KCNH2 |
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-2935246-B1 | ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD CALISTOGA LLC (US) | 2018-07-25 | — | — | EP | disclosed |