Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | MYC | P01106 | 2/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316385 | 0.88 | MEN1 (0.43) | ABCB1MEN1LMNAKMT2A | |
| SCHEMBL1550902 | 0.84 | TDP1 (0.44) | CYP3A4CYP11B2CYP11B1LMNAPOLB | |
| SCHEMBL3633358 | 0.84 | NOTUM (0.44) | ABCB1MEN1LMNAPOLBKMT2A | |
| SCHEMBL4284158 | 0.83 | ABCB1 (0.37) | ABCB1 | |
| SCHEMBL4288252 | 0.82 | ABCB1 (0.37) | ABCB1MEN1KMT2A | |
| SCHEMBL3632665 | 0.82 | ABCB1 (0.50) | ABCB1MEN1LMNAKMT2A | |
| SCHEMBL1550977 | 0.82 | DPP4 (0.32) | — | |
| SCHEMBL4283426 | 0.81 | GRM1 (0.40) | TLR8ERCC5CYP2E1CYP2A6HTT | |
| SCHEMBL1550103 | 0.80 | SMN1; SMN2 (0.39) | MEN1LMNAPOLBKMT2A | |
| SCHEMBL3634622 | 0.79 | NOTUM (0.45) | HTTMEN1LMNAPOLBKMT2A |
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-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | claimed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | claimed |
| EP-2313391-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-04-27 | — | — | EP | disclosed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |