Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28532191 | 0.92 | NPC1 (0.50) | NPC1RAB9AKMT2AMAPTLMNA | |
| SCHEMBL10334686 | 0.73 | PPARA (0.50) | NPC1RAB9AKMT2AMAPTMEN1 | |
| SCHEMBL8076100 | 0.73 | NPC1 (0.51) | NPC1RAB9AKMT2AMAPTLMNA | |
| SCHEMBL28528461 | 0.73 | POLB (0.50) | NPC1RAB9AKMT2AMAPTMEN1 | |
| SCHEMBL4114605 | 0.71 | ALDH1A1 (0.38) | NPC1RAB9AKMT2AMEN1LMNA | |
| SCHEMBL13479791 | 0.70 | RAB9A (1.00) | NPC1RAB9AKMT2AMAPTMEN1 | |
| SCHEMBL28908852 | 0.69 | POLB (0.53) | NPC1RAB9AKMT2AMAPTMEN1 | |
| SCHEMBL4619519 | 0.68 | PTGS2 (0.72) | NPC1RAB9AKMT2AMAPTMEN1 | |
| SCHEMBL10335699 | 0.68 | NPC1 (0.43) | NPC1RAB9AKMT2AMAPTMEN1 | |
| SCHEMBL3435120 | 0.67 | ALDH1A1 (0.47) | NPC1RAB9AKMT2AMEN1PPARG |
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-108752232-B | Synthetic method of alpha-quaternary carbon amino acid | 四川大学 | 2021-03-19 | — | — | CN | disclosed |