Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28525317 | 0.90 | NPC1 (0.59) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL28518485 | 0.86 | NPC1 (0.47) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL13599919 | 0.78 | AKT1 (0.55) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL25414207 | 0.77 | BRD4 (0.54) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL16212511 | 0.76 | NPC1 (0.51) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL16212512 | 0.76 | NPC1 (0.51) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL5347018 | 0.74 | NPC1 (0.66) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL32682847 | 0.74 | NPC1 (0.58) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL25416692 | 0.74 | NPC1 (0.58) | NPC1RAB9AADRA1BNTRK1ALDH1A1 | |
| SCHEMBL973109 | 0.73 | NPC1 (0.64) | NPC1RAB9AADRA1BNTRK1ALDH1A1 |
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 |