Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.34 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3219206 | 0.83 | SIGMAR1 (0.47) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL28127932 | 0.82 | HCRTR1 (0.33) | HCRTR1HCRTR2POLBHTTMEN1 | |
| SCHEMBL28127948 | 0.82 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2HPGDHCRTR1 | |
| SCHEMBL28127929 | 0.79 | HPGD (0.44) | NPC1RAB9ASMN1; SMN2HPGDPOLB | |
| SCHEMBL28839920 | 0.76 | CPT1A (0.33) | HCRTR1HCRTR2POLBHTTMEN1 | |
| SCHEMBL28128217 | 0.75 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL28128191 | 0.74 | GRM2 (0.39) | NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL28228286 | 0.73 | HPGD (0.49) | NPC1RAB9ASMN1; SMN2HPGDMEN1 | |
| SCHEMBL28128186 | 0.72 | ALDH1A1 (0.46) | RAB9ASMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL28147646 | 0.71 | HPGD (0.50) | NPC1RAB9ASMN1; SMN2HPGDMEN1 |
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 |