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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 5/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL12629713 | 0.77 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2RAB9ANPSR1CTSL | |
| SCHEMBL18725142 | 0.76 | CTSL (0.54) | ALDH1A1SMN1; SMN2RAB9ANPSR1CTSL | |
| SCHEMBL22649382 | 0.71 | BCHE (0.64) | ALDH1A1SMN1; SMN2RAB9ANPSR1CTSL | |
| SCHEMBL14938501 | 0.71 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2RAB9ANPSR1CTSL | |
| SCHEMBL6747623 | 0.70 | MAPT (0.50) | SMN1; SMN2RAB9ACTSLKDM4EMEN1 | |
| SCHEMBL1562723 | 0.69 | GSTA1 (0.68) | ALDH1A1SMN1; SMN2RAB9ANPSR1BCHE | |
| SCHEMBL5998679 | 0.68 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2RAB9ANPSR1CTSL | |
| Benzophenone-Thiosemicarbazone SCHEMBL17666878 | 0.68 | CTSL (0.80) | CTSLCTSBCTSK | |
| SCHEMBL21283425 | 0.68 | MAPT (0.66) | ALDH1A1SMN1; SMN2RAB9ANPSR1KDM4E | |
| SCHEMBL19449707 | 0.68 | MAPT (0.66) | ALDH1A1SMN1; SMN2RAB9ANPSR1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6599943-B1 | Preventive treatment, related to the radical generating nature of the xanthine dehydrogenase/xanthine oxidase | WAPHARM AB (SE) | 2003-07-29 | — | — | US | disclosed |
| EP-1007025-A1 | USE OF HYDROXYGUANIDINES | Wa Pharm AB (SE) | 2000-06-14 | — | — | EP | disclosed |
| WO-1998023267-A1 | USE OF HYDROXYGUANIDINES | WAPHARM AB (SE) | 1998-06-04 | — | — | WO | disclosed |