Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL716529 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4337707 | 0.93 | — | — | |
| Formic Acid SCHEMBL31655727 | 0.86 | CHRNB2 (0.59) | — | |
| SCHEMBL2918867 | 0.86 | CHRNB2 (0.57) | — | |
| Trifluoroacetic Acid SCHEMBL29701070 | 0.81 | CHRNB2 (0.53) | — | |
| SCHEMBL21188142 | 0.79 | CHRNB2 (0.60) | — | |
| SCHEMBL18078663 | 0.79 | CHRNB2 (0.60) | — | |
| SCHEMBL2977883 | 0.77 | CHRNB2 (1.00) | — | |
| SCHEMBL4125597 | 0.77 | — | — | |
| SCHEMBL9906301 | 0.77 | CHRNB2 (1.00) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12617789-B2 | Small molecular inhibitors of NF-κb inducing kinase | JANSSEN PHARMACEUTICA NV (BE) | 2026-05-05 | — | — | US | disclosed |
| EP-4467199-A2 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN Pharmaceutica NV (BE) | 2024-11-27 | — | — | EP | disclosed |
| EP-3976597-B1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2024-08-28 | — | — | EP | disclosed |
| US-20240199605-A1 | SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2024-06-20 | — | — | US | disclosed |
| US-11827634-B2 | Small molecule inhibitors of NF-kB inducing kinase | JANSSEN PHARMACEUTICA NV (BE) | 2023-11-28 | — | — | US | disclosed |
| US-20230080834-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2023-03-16 | — | — | US | disclosed |
| US-11254673-B2 | Small molecule inhibitors of NF-κB inducing kinase | JANSSEN PHARMACEUTICA NV (BE) | 2022-02-22 | — | — | US | disclosed |
| US-20210300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2021-09-30 | — | — | US | disclosed |