Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28517872 | 0.86 | NPC1 (0.57) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28525317 | 0.77 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2ADRA1BALDH1A1 | |
| SCHEMBL25790034 | 0.74 | AKT1 (0.54) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25416692 | 0.71 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2ADRA1BALDH1A1 | |
| SCHEMBL32682847 | 0.71 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2ADRA1BALDH1A1 | |
| SCHEMBL12349885 | 0.71 | NPC1 (0.76) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16212511 | 0.70 | NPC1 (0.51) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31413544 | 0.69 | SMN1; SMN2 (0.53) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13325764 | 0.68 | ALDH1A1 (0.61) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16212512 | 0.68 | NPC1 (0.51) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 |
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-108690018-B | Preparation method of imidazo [1,2-a ] pyridine derivative | 郑州大学 | 2021-01-12 | — | — | CN | disclosed |