Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | LTB4R2 | Q9NPC1 | 14/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28332847 | 0.80 | FOLH1 (0.49) | TP53LTB4R2ALDH1A1TSHR | |
| SCHEMBL14230004 | 0.78 | TP53 (0.89) | TP53SMN1; SMN2LTB4R2NPC1JAK2 | |
| SCHEMBL16627492 | 0.74 | TP53 (0.70) | TP53SMN1; SMN2LTB4R2NPC1JAK2 | |
| SCHEMBL2069920 | 0.73 | TP53 (0.68) | TP53SMN1; SMN2LTB4R2NPC1JAK2 | |
| SCHEMBL12013904 | 0.73 | FOLH1 (0.52) | TP53SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL1550815 | 0.73 | TP53 (0.41) | TP53SMN1; SMN2LTB4R2AGTR1ALDH1A1 | |
| SCHEMBL6530167 | 0.73 | FOLH1 (0.59) | TP53SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL9295793 | 0.72 | TP53 (0.62) | TP53SMN1; SMN2LTB4R2NPC1JAK2 | |
| SCHEMBL11370872 | 0.72 | TP53 (0.66) | TP53SMN1; SMN2LTB4R2NPC1JAK2 | |
| SCHEMBL2069635 | 0.71 | TP53 (0.59) | TP53SMN1; SMN2LTB4R2NPC1JAK2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350015-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-08-03 | — | — | EP | disclosed |
| EP-2342182-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |
| 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 |