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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 8/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7461666 | 0.98 | ALDH1A1 (0.50) | ALDH1A1EGLN3TBXAS1FDPSBRD4 | |
| Hydrochloric Acid SCHEMBL28304957 | 0.96 | ALDH1A1 (0.48) | ALDH1A1EGLN3TBXAS1 | |
| SCHEMBL8572671 | 0.83 | ALDH1A1 (0.43) | ALDH1A1EGLN3TBXAS1 | |
| SCHEMBL28013740 | 0.82 | ALDH1A1 (0.53) | ALDH1A1EGLN3TBXAS1FDPSCYP19A1 | |
| SCHEMBL28417024 | 0.80 | ALDH1A1 (0.41) | ALDH1A1EGLN3TBXAS1CYP19A1 | |
| SCHEMBL4793009 | 0.80 | ALDH1A1 (0.47) | ALDH1A1EGLN3TBXAS1 | |
| SCHEMBL501640 | 0.80 | TBXAS1 (0.54) | ALDH1A1EGLN3TBXAS1 | |
| SCHEMBL16314611 | 0.79 | ALDH1A1 (0.50) | ALDH1A1EGLN3TBXAS1FDPSCYP19A1 | |
| SCHEMBL10643045 | 0.79 | TBXAS1 (0.48) | ALDH1A1EGLN3TBXAS1FDPS | |
| SCHEMBL9276891 | 0.79 | ALDH1A1 (0.46) | ALDH1A1EGLN3TBXAS1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090011-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1019529-A4 | A METHOD OF TREATING CANCER | MERCK & CO INC (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-1165082-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1165082-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2002-01-02 | — | — | EP | disclosed |
| EP-1035850-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-09-12 | — | — | EP | disclosed |
| EP-1090011-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-1035850-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2000-09-20 | — | — | EP | disclosed |
| WO-2000051611-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| EP-1019530-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2000-07-19 | — | — | EP | disclosed |
| EP-1019529-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2000-07-19 | — | — | EP | disclosed |
| EP-1009854-A1 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-2000016626-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2000-03-30 | — | — | WO | disclosed |
| WO-2000001701-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-1999027929-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1999-06-10 | — | — | WO | disclosed |
| WO-1999010525-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |
| WO-1999010524-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |
| WO-1999010523-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1999-03-04 | — | — | WO | disclosed |
| EP-0891334-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036876-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | disclosed |