Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Benzothiophene SCHEMBL29030869 | 0.83 | ALDH1A1 (0.41) | NPC1POLBRAB9APDGFRBPDGFRA | |
| SCHEMBL7786914 | 0.80 | DYRK1A (0.39) | NPC1POLBRAB9AALDH1A1HTT | |
| SCHEMBL29350099 | 0.79 | NPC1 (0.65) | NPC1POLBRAB9APDGFRBPDGFRA | |
| SCHEMBL150476 | 0.79 | NPC1 (0.65) | NPC1POLBRAB9APDGFRBPDGFRA | |
| SCHEMBL18700662 | 0.75 | NPC1 (0.60) | NPC1POLBRAB9APDGFRBPDGFRA | |
| SCHEMBL13156520 | 0.75 | NPC1 (0.60) | NPC1POLBRAB9APDGFRBPDGFRA | |
| SCHEMBL12532559 | 0.75 | NPC1 (0.60) | NPC1POLBRAB9APDGFRBPDGFRA | |
| SCHEMBL13156510 | 0.75 | NPC1 (0.60) | NPC1POLBRAB9APDGFRBPDGFRA | |
| SCHEMBL164774 | 0.74 | CYP2A6 (0.50) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL9728833 | 0.74 | RIPK1 (0.49) | NPC1POLBRAB9APDGFRBPDGFRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4085059-A1 | HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME | Accro Bioscience (HK) Limited (HK) | 2022-11-09 | — | — | EP | disclosed |