Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633919 | 0.83 | MEN1 (0.45) | ABCB1MEN1KMT2A | |
| SCHEMBL3631491 | 0.82 | ABCB1 (0.49) | ABCB1MEN1KMT2A | |
| SCHEMBL3631115 | 0.80 | CA12 (0.43) | ABCB1KMT2A | |
| SCHEMBL3633608 | 0.80 | ABCB1 (0.53) | ABCB1MEN1KMT2A | |
| SCHEMBL3626683 | 0.79 | NOTUM (0.42) | ABCB1MEN1KMT2A | |
| SCHEMBL3631637 | 0.78 | LMNA (0.43) | MEN1KMT2A | |
| SCHEMBL3633448 | 0.78 | NOTUM (0.43) | ABCB1 | |
| SCHEMBL3633758 | 0.77 | NOTUM (0.44) | ABCB1MEN1KMT2A | |
| SCHEMBL4283426 | 0.77 | GRM1 (0.40) | — | |
| SCHEMBL3632701 | 0.76 | KDM4E (0.47) | MEN1KMT2A |
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 3 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 |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |