Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7016064 | 0.91 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9APDE10A | |
| SCHEMBL7019250 | 0.91 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APDE10ACYP3A4 | |
| SCHEMBL7022225 | 0.91 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APDE10ACYP3A4 | |
| SCHEMBL7017347 | 0.89 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9APDE10ACYP3A4 | |
| SCHEMBL7016856 | 0.89 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9AKMT2ANPSR1 | |
| SCHEMBL7015446 | 0.89 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ACYP3A4CYP2C9 | |
| SCHEMBL7172117 | 0.88 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9AKMT2ANPSR1 | |
| SCHEMBL7018038 | 0.88 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9APDE10AKMT2A | |
| SCHEMBL7018132 | 0.86 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9APDE10ACYP3A4 | |
| SCHEMBL7015051 | 0.85 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9APDE10AKMT2A |
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 |