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.
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 | |
|---|---|---|---|---|
| SCHEMBL6904514 | 0.97 | HTR2A (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL1325642 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL8894992 | 0.92 | HTR2A (0.46) | — | |
| SCHEMBL31196698 | 0.90 | HTR2A (0.45) | — | |
| SCHEMBL31196699 | 0.90 | HTR2A (0.45) | — | |
| SCHEMBL6905658 | 0.90 | HTR2A (0.45) | — | |
| Methylamine SCHEMBL3589883 | 0.87 | HTR2A (0.43) | — | |
| SCHEMBL16559360 | 0.86 | HTR2A (0.58) | — | |
| SCHEMBL6904969 | 0.84 | HTR2A (0.50) | — | |
| SCHEMBL29572171 | 0.83 | METAP1 (0.57) | — |
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-3134411-B1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INT (DE) | 2021-06-30 | — | — | EP | disclosed |
| US-10654884-B2 | Purine derivatives as CD73 inhibitors for the treatment of cancer | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-05-19 | — | — | US | disclosed |
| EP-3134411-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | Vitae Pharmaceuticals, Inc. (US) | 2017-03-01 | — | — | EP | disclosed |
| US-20170044203-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-02-16 | — | — | US | disclosed |
| EP-2401263-B1 | SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME | SK BIOPHARMACEUTICALS CO LTD (KR) | 2016-02-17 | — | — | EP | disclosed |
| WO-2015164573-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | VITAE PHARMACEUTICALS, INC. (US) | 2015-10-29 | — | — | WO | disclosed |
| US-8828992-B2 | Substituted azole derivatives, pharmaceutical composition containing the derivatives, and method for treating Parkinson's disease using the same | SK BIOPHARMACEUTICALS CO., LTD. (KR) | 2014-09-09 | — | — | US | disclosed |
| EP-2401263-A2 | SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME | SK Biopharmaceuticals Co., Ltd. (KR) | 2012-01-04 | — | — | EP | disclosed |
| US-20110301150-A1 | SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME | SK BIOPHARMACEUTICALS CO., LTD. | 2011-12-08 | — | — | US | disclosed |
| WO-2010098600-A2 | SUBSTITUTED AZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES, AND METHOD FOR TREATING PARKINSON'S DISEASE USING THE SAME | SK HOLDINGS CO., LTD. (KR) | 2010-09-02 | — | — | WO | disclosed |