Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 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 | |
|---|---|---|---|---|
| SCHEMBL7018135 | 0.91 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7172117 | 0.90 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7020014 | 0.88 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7015051 | 0.86 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7020544 | 0.85 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7016856 | 0.85 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7020769 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7018038 | 0.84 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7148157 | 0.84 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ANR1H2NR1H3 | |
| SCHEMBL7019250 | 0.84 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9ANR1H2NR1H3 |
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 1 patent. 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 | disclosed |