Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | PPARA | Q07869 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9394945 | 0.83 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3631412 | 0.82 | ALDH1A1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2698266 | 0.79 | CA12 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3634633 | 0.79 | L3MBTL1 (0.52) | KMT2AMEN1NPC1RAB9AL3MBTL1 | |
| SCHEMBL9393260 | 0.78 | PPARA (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8477214 | 0.78 | CA12 (0.69) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL17746095 | 0.78 | CA12 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8477211 | 0.78 | CA12 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7337783 | 0.76 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18280463 | 0.76 | CA12 (0.67) | CA12CA1CA2CA7CA9 |
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 |