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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPN | P05981 | 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 | |
|---|---|---|---|---|
| SCHEMBL1980248 | 0.98 | MAOA (0.59) | MAOAMAOBDRD2DRD3DRD1 | |
| SCHEMBL7970202 | 0.80 | MAOA (0.55) | MAOAMAOBDRD2DRD3DRD1 | |
| SCHEMBL30346211 | 0.79 | MAOA (0.53) | MAOAMAOBCA1CA2CA4 | |
| SCHEMBL8649269 | 0.79 | MAOA (0.53) | MAOAMAOBCA1CA2CA4 | |
| SCHEMBL4809975 | 0.78 | DRD2 (0.47) | MAOAMAOBDRD2DRD3DRD1 | |
| SCHEMBL1979793 | 0.77 | MAOA (0.52) | MAOAMAOBCA1CA2CA4 | |
| Xanthene SCHEMBL30046640 | 0.77 | MAOA (0.94) | MAOAMAOBMAPKAPK2GAANPSR1 | |
| Xanthene SCHEMBL11600218 | 0.77 | MAOA (0.94) | MAOAMAOBMAPKAPK2GAANPSR1 | |
| Xanthene SCHEMBL2312744 | 0.77 | MAOA (0.94) | MAOAMAOBMAPKAPK2GAANPSR1 | |
| Xanthene SCHEMBL30047272 | 0.77 | MAOA (0.94) | MAOAMAOBMAPKAPK2GAANPSR1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042727-A4 | METHOD OF CANCER CELL DETECTION | APPLIED SPECTRAL IMAGING LTD (IL) | 2005-11-30 | — | — | EP | disclosed |
| EP-1015844-A4 | SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION | APPLIED SPECTRAL IMAGING LTD (IL) | 2005-04-27 | — | — | EP | disclosed |
| US-6690817-B1 | Spectral bio-imaging data for cell classification using internal reference | APPLIED SPECTRAL IMAGING LTD. (IL) | 2004-02-10 | — | — | US | disclosed |
| EP-1114393-A1 | SPECTRAL BIO-IMAGING DATA FOR CELL CLASSIFICATION USING INTERNAL REFERENCE | Applied Spectral Imaging Ltd. (IL) | 2001-07-11 | — | — | EP | disclosed |
| EP-1042727-A1 | METHOD OF CANCER CELL DETECTION | Applied Spectral Imaging Ltd. (IL) | 2000-10-11 | — | — | EP | disclosed |
| EP-1015844-A1 | SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION | Applied Spectral Imaging Ltd. (IL) | 2000-07-05 | — | — | EP | disclosed |
| WO-2000017808-A1 | SPECTRAL BIO-IMAGING DATA FOR CELL CLASSIFICATION USING INTERNAL REFERENCE | APPLIED SPECTRAL IMAGING LTD. (IL) | 2000-03-30 | — | — | WO | disclosed |
| US-5995645-A | Method of cancer cell detection | APPLIED SPECTRAL IMAGING LTD. (IL) | 1999-11-30 | — | — | US | disclosed |
| US-5991028-A | Spectral bio-imaging methods for cell classification | APPLIED SPECTRAL IMAGING LTD. (IL) | 1999-11-23 | — | — | US | disclosed |
| EP-0830564-A4 | SPECTRAL BIO-IMAGING METHODS FOR BIOLOGICAL RESEARCH, MEDICAL DIAGNOSTICS AND THERAPY | SPECTRAL DIAGNOSTIC LTD (IL) | 1999-11-10 | — | — | EP | disclosed |
| WO-1999028856-A1 | METHOD OF CANCER CELL DETECTION | APPLIED SPECTRAL IMAGING LTD. (IL) | 1999-06-10 | — | — | WO | disclosed |
| WO-1998043042-A9 | SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION | — | 1999-03-04 | — | — | WO | disclosed |
| WO-1998043042-A1 | SPECTRAL BIO-IMAGING METHODS FOR CELL CLASSIFICATION | APPLIED SPECTRAL IMAGING LTD. (IL) | 1998-10-01 | — | — | WO | disclosed |
| US-5784162-A | Spectral bio-imaging methods for biological research, medical diagnostics and therapy | APPLIED SPECTRAL IMAGING LTD. (IL) | 1998-07-21 | — | — | US | disclosed |
| EP-0830564-A1 | SPECTRAL BIO-IMAGING METHODS FOR BIOLOGICAL RESEARCH, MEDICAL DIAGNOSTICS AND THERAPY | Spectral Diagnostic Ltd (IL) | 1998-03-25 | — | — | EP | disclosed |
| WO-1997021979-A1 | SPECTRAL BIO-IMAGING METHODS FOR BIOLOGICAL RESEARCH, MEDICAL DIAGNOSTICS AND THERAPY | SPECTRAL DIAGNOSTIC LTD. (IL) | 1997-06-19 | — | — | WO | disclosed |