Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | MAOA | P21397 | 7/20 | 0.53 |
| ▸ | MAOB | P27338 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL30461144 | 1.00 | NPC1 (0.55) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL4748638 | 1.00 | NPC1 (0.55) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL5255935 | 1.00 | NPC1 (0.55) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL1279355 | 0.95 | NPC1 (0.59) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL30855377 | 0.95 | NPC1 (0.59) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL15426822 | 0.92 | MAOA (0.60) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL22181586 | 0.92 | MAOA (0.60) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL17364458 | 0.89 | NPC1 (0.61) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL5001878 | 0.89 | NPC1 (0.54) | NPC1RAB9ATDP1MAOAMAOB | |
| SCHEMBL695627 | 0.87 | NPC1 (0.57) | NPC1RAB9ATDP1MAOAMAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116969904-A | Compounds useful as autophagy modulators, methods of preparation and uses thereof | 微境生物医药科技(上海)有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-111148740-B | Compounds useful as autophagy modulators, methods of preparation and uses thereof | 微境生物医药科技(上海)有限公司 | 2023-08-25 | — | — | CN | disclosed |