Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2988338 | 0.73 | TSHR (0.56) | NLRP3ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL5009162 | 0.71 | KDM4E (0.77) | NLRP3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6271229 | 0.71 | NLRP3 (0.50) | NLRP3ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL24294950 | 0.70 | NLRP3 (0.74) | NLRP3ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL18152809 | 0.69 | TSHR (0.65) | ADORA3ADORA2AADORA2BADORA1KDM4E | |
| SCHEMBL14077056 | 0.68 | TSHR (0.59) | NLRP3KDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL18152765 | 0.68 | KDM4E (0.59) | KDM4EALDH1A1HPGDTSHRMEN1 | |
| SCHEMBL10030013 | 0.67 | NLRP3 (1.00) | NLRP3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7668668 | 0.67 | ALDH1A1 (0.57) | NLRP3KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL6266594 | 0.67 | NLRP3 (0.46) | NLRP3ADORA3ADORA2AADORA2BADORA1 |
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-110294751-A | Have the imidazoles [4,5-b] of bioactivity and pyridine compounds and their and its preparation method and application | 湖南化工研究院有限公司 | 2019-10-01 | — | — | CN | disclosed |