Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL527670 | 0.94 | CALM1 (0.44) | RAB9ASMN1; SMN2NPC1HPGDTSHR | |
| SCHEMBL6165634 | 0.79 | S1PR1 (0.41) | RAB9ASMN1; SMN2NPC1S1PR1EDNRB | |
| SCHEMBL344823 | 0.77 | CES1 (0.46) | RAB9ASMN1; SMN2NPC1HPGDCES1 | |
| SCHEMBL6165832 | 0.76 | CYP11B1 (0.45) | — | |
| SCHEMBL3628598 | 0.76 | LTA4H (0.47) | RAB9ASMN1; SMN2NPC1HPGDTSHR | |
| SCHEMBL15660842 | 0.76 | CYP3A4 (0.48) | RAB9ASMN1; SMN2NPC1TSHREDNRB | |
| SCHEMBL20773482 | 0.76 | NPC1 (0.41) | RAB9ASMN1; SMN2NPC1HPGDEDNRB | |
| SCHEMBL20773616 | 0.76 | NPC1 (0.44) | RAB9ASMN1; SMN2NPC1HPGDTSHR | |
| SCHEMBL6643942 | 0.76 | EPHX2 (0.42) | RAB9ASMN1; SMN2NPC1EDNRBEDNRA | |
| SCHEMBL10687520 | 0.76 | ESR1 (0.48) | EDNRBEDNRA |
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-114594183-A | Detection method of 15 forbidden azoles in children cosmetics | 广东产品质量监督检验研究院（国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室） | 2022-06-07 | — | — | CN | disclosed |
| CN-114252536-A | High performance liquid chromatography method for determining related substances in bifonazole bulk drug | 纳谱分析技术（苏州）有限公司 | 2022-03-29 | — | — | CN | disclosed |