Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 4/20 | 0.31 |
| ▸ | AGXT | P21549 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31172078 | 1.00 | NPC1 (0.37) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL9217580 | 0.79 | GAA (0.41) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL19251029 | 0.75 | NPC1 (0.37) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL27796832 | 0.72 | IDO1 (0.52) | PKMMAOBIDO1AGXTALDH1A1 | |
| SCHEMBL7203265 | 0.72 | NPC1 (0.46) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL29739227 | 0.72 | NPC1 (0.46) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL8281926 | 0.72 | CA2 (0.40) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL8282756 | 0.72 | GAA (0.36) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL22411895 | 0.71 | TACR1 (0.36) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL22411898 | 0.71 | TACR1 (0.36) | NPC1TP53PKMRAB9ASMN1; SMN2 |
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-113811534-A | TYK2 inhibitors and uses thereof | 埃斯克疗法股份有限公司 | 2021-12-17 | — | — | CN | disclosed |