Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4031932 | 0.86 | POLB (0.69) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL28872246 | 0.85 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL4091915 | 0.83 | POLB (0.74) | NPC1RAB9ASMN1; SMN2POLBLMNA | |
| SCHEMBL4135325 | 0.81 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL4135321 | 0.81 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL4135318 | 0.81 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL2731878 | 0.81 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL21493485 | 0.80 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL10310223 | 0.79 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2TAAR1POLB | |
| SCHEMBL863136 | 0.79 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2TAAR1POLB |
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-117222628-A | Compound for inhibiting apoptosis and preparation method thereof | 中国科学院上海有机化学研究所 | 2023-12-12 | — | — | CN | disclosed |