Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 14/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3230237 | 0.81 | PTGDR2 (0.32) | PTGDR2GFER | |
| SCHEMBL3347259 | 0.81 | PTGDR2 (0.46) | PTGDR2 | |
| SCHEMBL3243476 | 0.80 | ALDH1A1 (0.36) | GFERRAB9A | |
| SCHEMBL3237136 | 0.80 | TYR (0.39) | PTGDR2GFER | |
| SCHEMBL3238452 | 0.79 | BRD9 (0.36) | GFERACVRL1ACVR1RAB9A | |
| SCHEMBL3239397 | 0.79 | ALDH1A1 (0.40) | GFERRAB9A | |
| SCHEMBL3242838 | 0.79 | CASP3 (0.33) | GFER | |
| SCHEMBL3232124 | 0.77 | HDAC1 (0.39) | GFERRAB9A | |
| SCHEMBL3243756 | 0.76 | BRD4 (0.36) | GFERRAB9A | |
| 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 |