Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Acetonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL8753021 | 0.96 | — | — | |
| Acetonitrile SCHEMBL27640803 | 0.96 | CA2 (0.41) | CA2NLRP3KDM4ECYP3A4CA5A | |
| Acetonitrile SCHEMBL955359 | 0.96 | — | — | |
| Sulfuric Acid SCHEMBL11400477 | 0.89 | CA5A (0.46) | CA2NLRP3KDM4ECA5ACA5B | |
| Sulfuric Acid SCHEMBL4170715 | 0.85 | — | — | |
| Sulfuric Acid SCHEMBL1199700 | 0.85 | — | — | |
| Sulfuric Acid SCHEMBL27888295 | 0.85 | CA5A (0.50) | CA2NLRP3KDM4ECA5ACA5B | |
| Sulfuric Acid SCHEMBL7533455 | 0.85 | CA5A (0.50) | CA2NLRP3KDM4ECA5ACA5B | |
| Sulfuric Acid SCHEMBL27871725 | 0.85 | CA5A (0.50) | CA2NLRP3KDM4ECA5ACA5B | |
| SCHEMBL27917970 | 0.85 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114674945-A | Quality detection method for cyclobenzaprine hydrochloride | 正大制药（青岛）有限公司 | 2022-06-28 | — | — | CN | claimed |
| CN-114674945-A | Quality detection method for cyclobenzaprine hydrochloride | 正大制药（青岛）有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-114674945-A | Quality detection method for cyclobenzaprine hydrochloride | 正大制药（青岛）有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-114563369-A | Quality detection method for cyclobenzaprine hydrochloride sustained-release capsule | 正大制药（青岛）有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-111568873-A | Cyclobenzaprine solid oral preparation and preparation method thereof | 正大制药（青岛）有限公司 | 2020-08-25 | — | — | CN | disclosed |
| CN-111544417-A | Cyclobenzaprine sustained-release granules | 正大制药（青岛）有限公司 | 2020-08-18 | — | — | CN | disclosed |
| CN-111494336-A | Cyclobenzaprine capsule | 正大制药（青岛）有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-111494329-A | Cyclobenzaprine sustained release preparation | 正大制药（青岛）有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-111467325-A | Cyclobenzaprine sustained-release capsule | 正大制药（青岛）有限公司 | 2020-07-31 | — | — | CN | disclosed |
| US-10471054-B2 | CDK1 inhibitors of acetyl chrysin mannich base derivatives, synthesis and use thereof | Zhang, Fan (CN) | 2019-11-12 | — | — | US | disclosed |
| US-20190216792-A1 | CDK1 INHIBITORS OF ACETYL CHRYSIN MANNICH BASE DERIVATIVES, SYNTHESIS AND USE THEREOF | ZHANG, FAN (CN) | 2019-07-18 | — | — | US | disclosed |
| CN-106117189-B | Acetyl group Chrysin Mannich base derivative and application thereof | 张帆 | 2019-02-01 | — | — | CN | disclosed |
| CN-106117189-A | Acetyl group chrysin Mannich base derivant and application thereof | 张帆 | 2016-11-16 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190216792-A1 | CDK1 INHIBITORS OF ACETYL CHRYSIN MANNICH BASE DERIVATIVES, SYNTHESIS AND USE THEREOF | CDK1, CDK12, CDK18 | CA2 1176/4885NLRP3 4174/4885KDM4E 1538/4885 |
| US-10471054-B2 | CDK1 inhibitors of acetyl chrysin mannich base derivatives, synthesis and use thereof | CDK1, CDK12, CDK18 | CA2 1176/4885NLRP3 4174/4885KDM4E 1538/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.