Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA2 | P47869 | 4/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3634946 | 0.91 | ALDH1A1 (0.51) | GABRA2GABRB2CA12CA1CA2 | |
| SCHEMBL3632769 | 0.89 | GABRA2 (0.51) | GABRA2GABRB2CA12CA1CA2 | |
| SCHEMBL3631893 | 0.88 | GABRA2 (0.47) | GABRA2GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL3631115 | 0.84 | CA12 (0.43) | GABRA2GABRB2CA12CA1CA2 | |
| SCHEMBL3631503 | 0.83 | ALDH1A1 (0.43) | GABRA2GABRB2CA12CA1CA2 | |
| SCHEMBL3632913 | 0.81 | ALDH1A1 (0.46) | GABRA2GABRB2KDM4EALDH1A1HPGD | |
| SCHEMBL3634504 | 0.80 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL3631888 | 0.79 | THRB (0.41) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL10460406 | 0.77 | GABRA2 (0.57) | GABRA2GABRB2CA12CA1CA2 | |
| SCHEMBL3631808 | 0.77 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDMEN1KMT2A |
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 |