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 | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | TET3 | O43151 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | ASPH | Q12797 | 1/20 | 0.38 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL220172 | 0.98 | KDM1A (0.44) | KDM1AHDAC1HDAC6MEN1KMT2A | |
| SCHEMBL30595888 | 0.98 | KDM1A (0.44) | KDM1AHDAC1HDAC6MEN1KMT2A | |
| SCHEMBL568649 | 0.85 | KDM1A (0.41) | KDM1AHDAC1HDAC6MEN1KMT2A | |
| SCHEMBL3465859 | 0.81 | IDO1 (0.39) | KDM1AHDAC1HDAC6ARCA12 | |
| SCHEMBL28786825 | 0.81 | LMNA (0.47) | KDM1AHDAC1HDAC6MEN1KMT2A | |
| Bromide SCHEMBL27949951 | 0.79 | ATM (0.44) | KDM1AHDAC1HDAC6MEN1KMT2A | |
| SCHEMBL3124147 | 0.79 | KDM1A (0.40) | KDM1AHDAC1HDAC6ARCA12 | |
| SCHEMBL25524262 | 0.79 | KDM1A (0.40) | KDM1AHDAC1HDAC6ARCA12 | |
| SCHEMBL30527973 | 0.79 | KDM4C (0.61) | KDM1AHDAC1HDAC6KDM4CKDM4E | |
| SCHEMBL40395 | 0.79 | KDM4C (0.61) | KDM1AHDAC1HDAC6KDM4CKDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1507776-A1 | 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS | Amgen Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003101985-A1 | 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS | AMGEN INC. (US) | 2003-12-11 | — | — | WO | disclosed |
| EP-0169502-B1 | 2-BENZYL-4-(2-MORPHOLINO)-4-PYRIOL) THIAZOLE | MERCK & CO. INC. (US) | 1990-10-31 | — | — | EP | disclosed |
| US-4746669-A | Substituted thiazoles as immunoregulants | MERCK & CO., INC. (US) | 1988-05-24 | — | — | US | disclosed |
| US-4725606-A | AUTOIMMUNE DISEASES | MERCK & CO., INC. (US) | 1988-02-16 | — | — | US | disclosed |
| US-4697012-A | IMMUNOLOGY, ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1987-09-29 | — | — | US | disclosed |
| EP-0169502-A2 | 2-Benzyl-4-(2-morpholino)-4-Pyriol) Thiazole | MERCK & CO. INC. (US) | 1986-01-29 | — | — | EP | disclosed |