Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7020884 | 0.96 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL5062276 | 0.93 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7025087 | 0.91 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7017695 | 0.91 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7020461 | 0.90 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7020089 | 0.90 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7020137 | 0.90 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7015149 | 0.89 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7015283 | 0.89 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ANPSR1PDE10A | |
| SCHEMBL7022936 | 0.88 | ALDH1A1 (0.50) | ALDH1A1NPC1RAB9ANPSR1PDE10A |
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-2003106435-A1 | FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF | SANKYO COMPANY, LIMITED (JP) | 2003-12-24 | — | — | WO | claimed |
| WO-2003106435-A1 | FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF | SANKYO COMPANY, LIMITED (JP) | 2003-12-24 | — | — | WO | disclosed |