Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.60 |
| ▸ | RAB9A | P51151 | 10/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.60 |
| ▸ | HPGD | P15428 | 7/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | TP53 | P04637 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.60 |
| ▸ | PKM | P14618 | 4/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.60 |
| ▸ | METAP2 | P50579 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | METAP1 | P53582 | 2/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | MTOR | P42345 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11570157 | 1.00 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL1272832 | 0.87 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL13831059 | 0.87 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL31509605 | 0.85 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL29079508 | 0.85 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL1961513 | 0.84 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL13830920 | 0.84 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL708725 | 0.84 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| Hydrochloric Acid SCHEMBL708724 | 0.84 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL21976942 | 0.82 | METAP2 (0.67) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022057932-A1 | CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-03-24 | — | — | WO | disclosed |
| WO-2022057928-A1 | CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-03-24 | — | — | WO | disclosed |