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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.46 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.46 |
| ▸ | NPY4R | P50391 | 8/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 6/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 6/20 | 0.41 |
| ▸ | NPY2R | P49146 | 3/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL17821546 | 0.91 | CA12 (0.52) | MAP1LC3BMAP1LC3ANPY4RALDH1A1NPY1R | |
| SCHEMBL29419661 | 0.91 | CA12 (0.52) | MAP1LC3BMAP1LC3ANPY4RALDH1A1NPY1R | |
| SCHEMBL2199089 | 0.91 | CA12 (0.52) | MAP1LC3BMAP1LC3ANPY4RALDH1A1NPY1R | |
| Hydrochloric Acid SCHEMBL11217796 | 0.88 | CA1 (0.49) | MAP1LC3BMAP1LC3ANPY4RALDH1A1NPY1R | |
| SCHEMBL9614360 | 0.86 | MAP2K1 (0.51) | NPY4RMAP2K1ALDH1A1NPY1RNPY5R | |
| SCHEMBL14050068 | 0.85 | CA12 (0.49) | MAP1LC3BMAP1LC3ANPY4RALDH1A1NPY1R | |
| SCHEMBL29405051 | 0.85 | CA12 (0.49) | MAP1LC3BMAP1LC3ANPY4RALDH1A1NPY1R | |
| SCHEMBL2334528 | 0.84 | CA12 (0.45) | MAP1LC3BMAP1LC3ANPY4RALDH1A1NPY1R | |
| SCHEMBL3504063 | 0.84 | MAP2K1 (0.55) | MAP1LC3BMAP1LC3AMAP2K1ALDH1A1CA12 | |
| SCHEMBL3504066 | 0.84 | MAP2K1 (0.55) | MAP1LC3BMAP1LC3AMAP2K1ALDH1A1CA12 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020128434-A1 | Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors | ZIMMERMAN MARY P (US) | 2002-09-12 | — | — | US | disclosed |
| US-20020065264-A1 | Cysteine protease inhibitors containing heterocyclic leaving groups | ZIMMERMAN MARY P (US) | 2002-05-30 | — | — | US | disclosed |
| US-6297277-B1 | PEPTIDYL KETONES HAVING HETEROCYCLIC LEAVING GROUPS; CATHEPSIN INHIBITORS | PROTOTEK, INC. | 2001-10-02 | — | — | US | disclosed |
| US-6147188-A | IRREVERSIBLE CATHEPSIN OR CALPAIN INHIBITORS | PROTOTEK, INC. (US) | 2000-11-14 | — | — | US | disclosed |
| US-5925772-A | ENZYME INHIBITORS FOR ANTIARTHRITIC AGENTS FROM HETEROCYCLIC PEPTIDES | PROTOTEK, INC. (US) | 1999-07-20 | — | — | US | disclosed |
| EP-0731696-A4 | CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS | PROTOTEK INC (US) | 1999-04-21 | — | — | EP | disclosed |
| EP-0863883-A4 | — | — | 1998-09-16 | — | — | EP | disclosed |
| EP-0863883-A1 | ALPHA-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS | PROTOTEK, INC., (US) | 1998-09-16 | — | — | EP | disclosed |
| US-5714484-A | α-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors | PROTOTEK, INC. (US) | 1998-02-03 | — | — | US | disclosed |
| US-5663380-A | ANTIARTHRITIC AGENTS; TREATMENT OF RHEUMATOID ARTHRITIS | PROTOTEK, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| WO-1996040647-A1 | α-(1,3-DICARBONYLENOL ETHER) METHYL KETONES AS CYSTEINE PROTEASE INHIBITORS | PROTOTEK, INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| EP-0731696-A1 | CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS | PROTOTEK, INC. (US) | 1996-09-18 | — | — | EP | disclosed |
| US-5486623-A | Cysteine protease inhibitors containing heterocyclic leaving groups | PROTOTEK, INC. (US) | 1996-01-23 | — | — | US | disclosed |
| WO-1995015749-A1 | CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS | PROTOTEK, INC. (US) | 1995-06-15 | — | — | WO | 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-20020128434-A1 | Alpha-(1,3-dicarbonylenol ether) methyl ketones as cysteine protease inhibitors | CPN1, CTRL, SERPINB1 | MAP1LC3B 3103/4885MAP1LC3A 2883/4885NPY4R 4247/4885 |
| US-20020065264-A1 | Cysteine protease inhibitors containing heterocyclic leaving groups | HPN, PREP, SPINT2 | MAP1LC3B 4837/4885MAP1LC3A 4853/4885NPY4R 4466/4885 |
“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.