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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21825862 | 0.95 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL1022264 | 0.79 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11536088 | 0.78 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL6141762 | 0.77 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL1271263 | 0.77 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| Lithium SCHEMBL2300586 | 0.76 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL15105231 | 0.74 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL109480 | 0.74 | CA1 (0.58) | CA1CA2CA7CA9CA12 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1542976-B1 | SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | WYETH CORP (US) | 2009-02-04 | — | — | EP | disclosed |
| US-20070225349-A1 | Substituted 4-(Indazol-3-yl)phenols | WYETH (US) | 2007-09-27 | — | — | US | disclosed |
| US-7241791-B2 | Substituted 4-(indazol-3-yl)phenols | WYETH (US) | 2007-07-10 | — | — | US | disclosed |
| EP-1542976-A1 | SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | Wyeth (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1493741-A2 | Benzo[b]thiophene compounds, intermediates, processes, compositions and methods | Eli Lilly & Company (US) | 2005-01-05 | — | — | EP | disclosed |
| EP-0826683-B1 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | LILLY CO ELI (US) | 2004-10-06 | — | — | EP | disclosed |
| US-20040167127-A1 | Substituted 4-(indazol-3-yl)phenols | WYETH (US) | 2004-08-26 | — | — | US | disclosed |
| WO-2004031159-A1 | SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES | WYETH (US) | 2004-04-15 | — | — | WO | disclosed |
| US-5998442-A | ANTICHOLESTEROL AGENTS | ELI LILLY AND COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0826683-A1 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1998-03-04 | — | — | EP | 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-20070225349-A1 | Substituted 4-(Indazol-3-yl)phenols | INSR, TNNI3, INSRR | ACHE 2624/4885CA1 3581/4885CA2 2170/4885 |
| US-20040167127-A1 | Substituted 4-(indazol-3-yl)phenols | INSR, MSR1, TNNI3 | ACHE 4116/4885CA1 3166/4885CA2 1459/4885 |
“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.