Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GNRHR | P30968 | 2/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GRK2 | P25098 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL1718109 | 0.90 | L3MBTL1 (0.40) | ALDH1A1TSHRGNRHRBDKRB1POLB | |
| SCHEMBL2676781 | 0.87 | L3MBTL1 (0.42) | ALDH1A1TSHRGNRHRBDKRB1POLB | |
| SCHEMBL1717499 | 0.86 | BDKRB1 (0.39) | ALDH1A1GNRHRBDKRB1POLBGRK2 | |
| SCHEMBL2677599 | 0.86 | MEN1 (0.40) | ALDH1A1GNRHRBDKRB1POLBGRK2 | |
| SCHEMBL1550220 | 0.81 | TACR2 (0.39) | ALDH1A1GNRHRALOX12TDP1L3MBTL1 | |
| SCHEMBL27833948 | 0.80 | ALOX12 (0.38) | ALDH1A1ALOX12MAPK1RAB9AREN | |
| SCHEMBL8179915 | 0.80 | BDKRB1 (0.42) | ALDH1A1TSHRGNRHRBDKRB1POLB | |
| SCHEMBL2830538 | 0.80 | BDKRB1 (0.41) | ALDH1A1TSHRBDKRB1POLBL3MBTL1 | |
| SCHEMBL2674631 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TSHRPOLBGRK2MAPK1 | |
| SCHEMBL2148916 | 0.77 | BDKRB1 (0.40) | TSHRBDKRB1POLBL3MBTL1MEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8415356-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | claimed |
| EP-2313391-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-12-26 | — | — | EP | claimed |
| CN-102123998-A | Isoquinolinone derivatives as nk3 antagonists | LUNDBECK & CO AS H | 2011-07-13 | — | — | CN | claimed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | claimed |
| US-8415356-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| EP-2313391-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-12-26 | — | — | EP | disclosed |
| CN-102123998-A | Isoquinolinone derivatives as nk3 antagonists | LUNDBECK & CO AS H | 2011-07-13 | — | — | CN | disclosed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |