Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
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 | 0.93 | HDAC1 (0.39) | ALDH1A1CNR1CNR2GFERHDAC1 | |
| SCHEMBL3237136 | 0.84 | TYR (0.39) | CNR2GFERHDAC1HDAC6BRD4 | |
| SCHEMBL3242838 | 0.82 | CASP3 (0.33) | GFERHDAC1HDAC6CASP3CDK9 | |
| SCHEMBL3238452 | 0.82 | BRD9 (0.36) | GFERHDAC1HDAC6RAB9A | |
| SCHEMBL3347259 | 0.80 | PTGDR2 (0.46) | BRD4TSHR | |
| SCHEMBL2149199 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CNR1CNR2HDAC1HDAC6 | |
| SCHEMBL3243476 | 0.79 | ALDH1A1 (0.36) | ALDH1A1GFERCECR2RAB9ABRD4 | |
| SCHEMBL3236371 | 0.79 | PTGDR2 (0.44) | GFERRAB9A | |
| SCHEMBL3243756 | 0.78 | BRD4 (0.36) | GFERRAB9ABRD4 | |
| SCHEMBL9955513 | 0.75 | TP53 (0.36) | ALDH1A1CNR1CNR2HDAC1HDAC6 |
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 |