Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | RPA1 | P27694 | 9/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3631115 | 0.88 | CA12 (0.43) | NOTUMRPA1GABRA2GABRB2ALDH1A1 | |
| SCHEMBL3631491 | 0.85 | ABCB1 (0.49) | NOTUMALDH1A1HTTABCB1CA12 | |
| SCHEMBL3633919 | 0.83 | MEN1 (0.45) | NOTUMALDH1A1GFERABCB1 | |
| SCHEMBL3633608 | 0.82 | ABCB1 (0.53) | NOTUMGABRA2GABRB2ABCB1LMNA | |
| SCHEMBL3626683 | 0.81 | NOTUM (0.42) | NOTUMRPA1ALDH1A1HTTABCB1 | |
| SCHEMBL3631637 | 0.81 | LMNA (0.43) | GABRA2GABRB2ALDH1A1GFERLMNA | |
| SCHEMBL3633758 | 0.80 | NOTUM (0.44) | NOTUMALDH1A1ABCB1 | |
| SCHEMBL3632701 | 0.79 | KDM4E (0.47) | NOTUMALDH1A1GFERLMNA | |
| SCHEMBL1550187 | 0.78 | ABCB1 (0.33) | ABCB1 | |
| SCHEMBL4283426 | 0.77 | GRM1 (0.40) | ALDH1A1HTT |
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 |