Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | ICMT | O60725 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3232124 | 0.86 | HDAC1 (0.39) | KDM4EHSD17B10MEN1KMT2AHDAC1 | |
| SCHEMBL3238452 | 0.84 | BRD9 (0.36) | MEN1KMT2AHDAC1HDAC6BRD9 | |
| SCHEMBL3242838 | 0.84 | CASP3 (0.33) | HDAC1HDAC6GFER | |
| SCHEMBL3239397 | 0.84 | ALDH1A1 (0.40) | HSD17B10HDAC1HDAC6BRD4GFER | |
| SCHEMBL3347259 | 0.81 | PTGDR2 (0.46) | KDM4EMEN1KMT2ABRD4PTGDR2 | |
| SCHEMBL3243476 | 0.80 | ALDH1A1 (0.36) | KDM4EMEN1KMT2ABRD9BRD4 | |
| SCHEMBL3236371 | 0.80 | PTGDR2 (0.44) | GFERPTGDR2 | |
| SCHEMBL3243756 | 0.79 | BRD4 (0.36) | KDM4EMEN1KMT2ABRD9BRD4 | |
| SCHEMBL3239111 | 0.79 | KDM4E (0.32) | KDM4EHSD17B10MEN1KMT2AHDAC1 | |
| SCHEMBL2311708 | 0.76 | HSP90AA1 (0.35) | PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | claimed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |