Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.52 |
| ▸ | RAB9A | P51151 | 10/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29614829 | 0.87 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL3076524 | 0.87 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL29966674 | 0.87 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL29942654 | 0.87 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL170196 | 0.84 | RAB9A (0.64) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL29374931 | 0.84 | RAB9A (0.64) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL18671635 | 0.82 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2BCHEKDM4E | |
| SCHEMBL31490600 | 0.82 | RAB9A (0.61) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL34463709 | 0.82 | RAB9A (0.61) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL31243061 | 0.82 | ALDH1A1 (0.63) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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-113474333-A | Novel substituted sulfonylurea derivatives | 卡迪拉保健有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-111718269-A | Amine compound and organic light-emitting element including same | 三星显示有限公司 | 2020-09-29 | — | — | CN | disclosed |