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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.60 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.60 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.60 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.60 |
| ▸ | HTR3B | O95264 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.60 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | IDH2 | P48735 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704801 | 0.98 | ALDH1A1 (0.62) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL2854862 | 0.89 | NOTUM (0.63) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL21624885 | 0.89 | NOTUM (0.63) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| Hydrochloric Acid SCHEMBL9312337 | 0.88 | NOTUM (0.61) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL28226906 | 0.83 | ALDH1A1 (0.77) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL9310553 | 0.81 | IDH2 (0.59) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL3844094 | 0.80 | DRD2 (0.67) | ALDH1A1SIGMAR1MAPTSMN1; SMN2NPSR1 | |
| SCHEMBL17754046 | 0.80 | ALDH1A1 (0.59) | ALDH1A1SIGMAR1HTR3EHTR3BHTR1D | |
| SCHEMBL13613092 | 0.80 | POLB (0.66) | ALDH1A1NOTUMPOLBSMN1; SMN2LMNA | |
| SCHEMBL13758466 | 0.80 | POLB (0.66) | ALDH1A1NOTUMPOLBSMN1; SMN2LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5292738-A | Anti-virally active pyridazinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1994-03-08 | — | — | US | disclosed |
| US-5157035-A | Viricides | JANSSEN PHARMACEUTICA N. V. (BE) | 1992-10-20 | — | — | US | disclosed |
| US-5001125-A | Anti-virally active pyridazinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-03-19 | — | — | US | disclosed |
| EP-0156433-B1 | ANTI-VIRALLY ACTIVE PYRIDAZINAMINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-02-27 | — | — | EP | disclosed |
| EP-0156433-A2 | Anti-virally active pyridazinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-10-02 | — | — | EP | disclosed |