Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5023714 | 0.86 | HPGDS (0.49) | CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9 | |
| Ethoxycarbonyl Group SCHEMBL27679352 | 0.84 | CPB2 (0.41) | CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL10269258 | 0.74 | CYP19A1 (0.54) | CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL8455536 | 0.74 | ALDH1A1 (0.49) | CDK5CDK5R1KDM5AKDM4CKDM5B | |
| SCHEMBL9598245 | 0.74 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9 | |
| Ethylbenzene SCHEMBL27309269 | 0.73 | TP53 (0.58) | LMNANPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL9093669 | 0.72 | MEN1 (0.45) | CDK5CDK5R1KDM5AKDM4CKDM5B | |
| SCHEMBL30741761 | 0.72 | HPGDS (0.50) | CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL28417084 | 0.72 | HPGDS (0.50) | CYP3A4CYP2D6CYP2E1CYP2A6CYP2C9 | |
| SCHEMBL15473178 | 0.71 | HTT (0.41) | KDM4CLMNAMAPTALDH1A1RECQL |
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-104016925-B | The synthetic method of 4-alkyl imidazole-2-carboxylic acid | ZUNYI MEDICAL COLLEGE (CN) | 2016-03-30 | — | — | CN | disclosed |
| CN-104016925-A | Method for synthesizing 4-alkylimidazole-2-carboxylic acid I | UNIV ZUNYI MEDICAL | 2014-09-03 | — | — | CN | disclosed |