Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | BAD | Q92934 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL3631491 | 0.90 | ABCB1 (0.49) | ABCB1NOTUMLMNAKDM4EL3MBTL1 | |
| SCHEMBL3633919 | 0.88 | MEN1 (0.45) | ABCB1NOTUMKDM4EMEN1KMT2A | |
| SCHEMBL3631115 | 0.87 | CA12 (0.43) | ABCB1NOTUMLMNAKDM4EGABRA2 | |
| SCHEMBL3633758 | 0.86 | NOTUM (0.44) | ABCB1NOTUML3MBTL1MEN1KMT2A | |
| SCHEMBL3631637 | 0.85 | LMNA (0.43) | LMNAKDM4EGABRA2GABRB2MEN1 | |
| SCHEMBL3633448 | 0.82 | NOTUM (0.43) | ABCB1NOTUMLMNAGABRA2GABRB2 | |
| SCHEMBL3632665 | 0.82 | ABCB1 (0.50) | ABCB1NOTUMLMNAKDM4EGABRA2 | |
| SCHEMBL3632144 | 0.81 | ABCB1 (0.37) | ABCB1NOTUMLMNAKDM4EGABRA2 | |
| SCHEMBL3626683 | 0.81 | NOTUM (0.42) | ABCB1NOTUMLMNAKDM4EL3MBTL1 | |
| SCHEMBL3631359 | 0.81 | NOTUM (0.45) | NOTUMLMNAPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | disclosed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | disclosed |