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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | GFER | P55789 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 7/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2271831 | 0.99 | MAPT (0.43) | MAPTGFERKDM4EGAARAD52 | |
| Bromide SCHEMBL2538000 | 0.97 | MAPT (0.42) | MAPTGFERKDM4EGAARAD52 | |
| Iodide SCHEMBL2537434 | 0.97 | MAPT (0.42) | MAPTGFERKDM4EGAARAD52 | |
| Iodide SCHEMBL3061684 | 0.97 | MAPT (0.42) | MAPTGFERKDM4EGAARAD52 | |
| Iodide SCHEMBL6728604 | 0.93 | MAPT (0.39) | MAPTGFERKDM4EGAARAD52 | |
| SCHEMBL2266615 | 0.90 | DPP4 (0.41) | MAPTGFERKDM4EGAARAD52 | |
| Iodide SCHEMBL2542800 | 0.89 | DPP4 (0.40) | MAPTGFERKDM4EGAARAD52 | |
| SCHEMBL2267712 | 0.89 | GRM2 (0.41) | MAPTGFERKDM4EGAARAD52 | |
| SCHEMBL2929917 | 0.89 | MAPT (0.41) | MAPTGFERKDM4EGAARAD52 | |
| SCHEMBL2269575 | 0.88 | GRM2 (0.43) | MAPTGFERKDM4EGAARAD52 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1428514-B1 | Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use | OREAL (FR) | 2007-09-19 | — | — | EP | claimed |
| US-7101406-B2 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses | L'OREAL (FR) | 2006-09-05 | — | — | US | claimed |
| US-20060112502-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses | L'OREAL (FR) | 2006-06-01 | — | — | US | claimed |
| US-20040231067-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses | L'OREAL (FR) | 2004-11-25 | — | — | US | claimed |
| US-20040231068-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a cationic polymer, methods and uses | L'OREAL (FR) | 2004-11-25 | — | — | US | claimed |
| US-20040221399-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses | L'OREAL (FR) | 2004-11-11 | — | — | US | claimed |
| US-20040216244-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses | L'OREAL (FR) | 2004-11-04 | — | — | US | claimed |
| US-20040216246-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses | L'OREAL (FR) | 2004-11-04 | — | — | US | claimed |
| US-20040216245-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses | L'OREAL (FR) | 2004-11-04 | — | — | US | claimed |
| US-7101406-B2 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses | L'OREAL (FR) | 2006-09-05 | — | — | US | disclosed |
| US-20060112502-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses | L'OREAL (FR) | 2006-06-01 | — | — | 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 (7 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-20040231068-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a cationic polymer, methods and uses | PHOSPHO1, KRT18, NUP205 | ADRA2C 3644/4885MAPT 1983/4885GFER 2419/4885 |
| US-20060112502-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses | KRT18, CDC73, NUP205 | ADRA2C 4017/4885MAPT 1195/4885GFER 3408/4885 |
| US-20040216246-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses | KRT18, PLIN5, PLIN1 | ADRA2C 3239/4885MAPT 1958/4885GFER 2522/4885 |
| US-20040216245-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses | KRT18, CDC73, NUP205 | ADRA2C 3286/4885MAPT 1322/4885GFER 2915/4885 |
| US-20040221399-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and a heterocyclic cationic direct dye, methods and uses | KRT18, CDC73, NUP205 | ADRA2C 4017/4885MAPT 1195/4885GFER 3408/4885 |
| US-20040216244-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses | KRT18, CDC73, DDC | ADRA2C 3724/4885MAPT 1376/4885GFER 2614/4885 |
| US-20040231067-A1 | Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses | KRT18, CDC73, PYCR1 | ADRA2C 4221/4885MAPT 1406/4885GFER 518/4885 |
“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.