Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | LDHB | P07195 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3633919 | 0.90 | MEN1 (0.45) | ABCB1NOTUMCOMTMEN1KMT2A | |
| SCHEMBL3631115 | 0.90 | CA12 (0.43) | ABCB1NOTUMCA12CA1CA9 | |
| SCHEMBL3633608 | 0.90 | ABCB1 (0.53) | ABCB1NOTUML3MBTL1LMNAMEN1 | |
| SCHEMBL3631637 | 0.87 | LMNA (0.43) | POLBSMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL3626683 | 0.86 | NOTUM (0.42) | ABCB1NOTUML3MBTL1SMN1; SMN2LMNA | |
| SCHEMBL3633448 | 0.85 | NOTUM (0.43) | ABCB1NOTUMCA12CA1CA9 | |
| SCHEMBL3634946 | 0.84 | ALDH1A1 (0.51) | ABCB1CA12CA1CA9L3MBTL1 | |
| SCHEMBL1550187 | 0.82 | ABCB1 (0.33) | ABCB1MEN1KMT2A | |
| SCHEMBL3633758 | 0.81 | NOTUM (0.44) | ABCB1NOTUML3MBTL1MEN1KMT2A | |
| SCHEMBL4283426 | 0.81 | GRM1 (0.40) | HTTALDH1A1 |
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-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |
| 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 |