Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 4/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28127929 | 0.82 | HPGD (0.44) | NPC1HPGDRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28128186 | 0.79 | ALDH1A1 (0.46) | RAB9ASMN1; SMN2KDM4EALDH1A1DRD4 | |
| SCHEMBL28128217 | 0.75 | ALDH1A1 (0.41) | NPC1HPGDRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL3219206 | 0.75 | SIGMAR1 (0.47) | NPC1HPGDRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28128161 | 0.74 | NPC1 (0.38) | NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL28127948 | 0.74 | ALDH1A1 (0.46) | NPC1HPGDRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28127921 | 0.72 | TMEM97 (0.47) | NPC1RAB9ASMN1; SMN2SIGMAR1KCNH2 | |
| SCHEMBL28147646 | 0.71 | HPGD (0.50) | NPC1HPGDRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28228286 | 0.70 | HPGD (0.49) | NPC1HPGDRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28183078 | 0.68 | NPC1 (0.50) | NPC1HPGDRAB9ASMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106414430-A | Pharmacologically active quinazolinedione derivatives | 奥赖恩公司 | 2017-02-15 | — | — | CN | disclosed |