Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1067592 | 0.98 | CA1 (0.38) | CA1CA2KIF11SMN1; SMN2TSHR | |
| SCHEMBL1067587 | 0.98 | CA1 (0.38) | CA1CA2KIF11SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL3873349 | 0.96 | CA1 (0.37) | CA1CA2KIF11SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL345242 | 0.96 | CA1 (0.37) | CA1CA2KIF11SMN1; SMN2TSHR | |
| SCHEMBL16346437 | 0.86 | CA1 (0.38) | CA1CA2KIF11SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL28648906 | 0.84 | CA1 (0.37) | CA1CA2KIF11SMN1; SMN2TSHR | |
| SCHEMBL75070 | 0.83 | HTT (0.35) | CA1CA2KIF11SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL75069 | 0.82 | HTT (0.34) | CA1CA2KIF11SMN1; SMN2TSHR | |
| SCHEMBL18770571 | 0.81 | DPP4 (0.38) | CA1CA2KIF11SMN1; SMN2ALDH1A1 | |
| SCHEMBL5366082 | 0.81 | DPP4 (0.38) | CA1CA2KIF11SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120015933-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2012-01-19 | — | — | US | disclosed |
| US-8039480-B2 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2011-10-18 | — | — | US | 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 (1 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-20120015933-A1 | Spirocyclic nitriles as protease inhibitors | CTRL, SERPINB1, PREP | ACHE 601/4885CA1 301/4885CA2 481/4885 |
“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.