Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13588197 | 0.84 | CES2 (0.55) | HTR7CES2CES1DRD2NPC1 | |
| SCHEMBL28289421 | 0.84 | CES2 (0.55) | HTR7CES2CES1DRD2NPC1 | |
| SCHEMBL23728983 | 0.83 | POLB (0.50) | HTR7RAB9AHTTHPGDHSD17B3 | |
| SCHEMBL29406527 | 0.83 | CES2 (0.53) | HTR7CES2CES1DRD2NPC1 | |
| SCHEMBL29127613 | 0.83 | CES2 (0.53) | HTR7CES2CES1DRD2NPC1 | |
| Hydrochloric Acid SCHEMBL28432740 | 0.83 | CES2 (0.53) | HTR7CES2CES1DRD2NPC1 | |
| SCHEMBL5078142 | 0.83 | CES2 (0.53) | HTR7CES2CES1DRD2NPC1 | |
| SCHEMBL31661689 | 0.83 | CES2 (0.53) | HTR7CES2CES1DRD2NPC1 | |
| SCHEMBL15037828 | 0.83 | CES2 (0.53) | HTR7CES2CES1DRD2NPC1 | |
| SCHEMBL31130589 | 0.82 | CES2 (0.61) | CES2CES1HPGDALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105518008-B | Amino pyrans ring derivatives and combinations thereof and application | 海思科医药集团股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-105531277-B | Pyrrolo-imidazole ring derivatives and their use in medicine | 四川海思科制药有限公司 | 2018-03-02 | — | — | CN | disclosed |
| CN-105531277-A | Pyrrolo-imidazole ring derivatives and their use in medicine | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-04-27 | — | — | CN | disclosed |
| CN-105518008-A | Amino pyranoid ring derivative and composition and use thereof | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2016-04-20 | — | — | CN | disclosed |