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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 5/20 | 0.61 |
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.61 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.61 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.61 |
| ▸ | HTR3B | O95264 | 3/20 | 0.61 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.61 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.61 |
| ▸ | NCF1 | P14598 | 1/20 | 0.55 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.55 |
| ▸ | PIM1 | P11309 | 3/20 | 0.54 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.54 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.54 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6774826 | 1.00 | ADRB1 (0.61) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6094312 | 0.98 | ADRB1 (0.63) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL40343 | 0.98 | ADRB1 (0.63) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL3142642 | 0.96 | ADRB1 (0.61) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24028031 | 0.90 | CHRNB2 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL30307833 | 0.88 | CHRNB2 (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14465246 | 0.87 | LTA4H (0.72) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5570604 | 0.86 | ADRB1 (0.77) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL18553773 | 0.84 | HTR6 (0.73) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7991421 | 0.82 | PIM1 (0.48) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1257163-C | Method for synthesizing 1-acetyl-4-(4-hydroxy pheny) piperazine | INST RADIATION MED AMMS PLA (CN) | 2006-05-24 | — | — | CN | disclosed |
| CN-1616440-A | Method for synthesizing 1-acetyl-4-(4-hydroxy pheny) piperazine | INST RADIATION MED AMMS PLA (CN) | 2005-05-18 | — | — | CN | disclosed |
| US-5563144-A | SERATONIN ANTAGONISTS FOR TREATMENT OF DISORDERS OF CENTRAL NERVOUS, CARDIOVASCULAR AND GASTROINTESTINAL SYSTEMS | RHONE-POULENC RORER S.A. (FR) | 1996-10-08 | — | — | US | disclosed |
| US-5130313-A | Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders | RHONE-POULENC SANTE (FR) | 1992-07-14 | — | — | US | disclosed |
| US-5036075-A | Serotonin antagonists | RHONE-POULENC SANTE (FR) | 1991-07-30 | — | — | US | disclosed |
| US-5021420-A | Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders | RHONE-POULENC SANTE (FR) | 1991-06-04 | — | — | US | disclosed |
| US-4877878-A | 2-azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, processes for the preparation thereof, agents containing same, and the use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-10-31 | — | — | US | disclosed |
| US-4859670-A | 2-Azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, agents containing same, and the use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-08-22 | — | — | US | disclosed |
| US-4824846-A | FUNGICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-25 | — | — | US | disclosed |
| US-4818758-A | FUNGICIDES | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-04-04 | — | — | US | disclosed |
| US-4456605-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-06-26 | — | — | US | disclosed |
| US-4402957-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-09-06 | — | — | US | disclosed |
| US-4358449-A | 1-(1,3-Dioxolan-2-ylmethyl)-1H-1,2,4-triazoles and compositions | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-11-09 | — | — | US | disclosed |
| EP-0007696-B1 | HETEROCYCLIC DERIVATIVES OF (4-(PIPERAZIN-1-YL-PHENYLOXYMETHYL)-1.3.-DIOXOLAN-2-YLMETHYL)-1H-IMIDAZOLES AND -1H-1.2.4-TRIAZOLES, THEIR PREPARATION AND USE AS FUNGICIDES AND BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1982-10-27 | — | — | EP | disclosed |
| US-4335125-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-06-15 | — | — | US | disclosed |
| US-4287195-A | USEFUL AS BACTERICIDES AND FUNGICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1981-09-01 | — | — | US | disclosed |
| US-4223036-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-09-16 | — | — | US | disclosed |
| EP-0007696-A1 | Heterocyclic derivatives of (4-(piperazin-1-yl-phenyloxymethyl)-1.3.-dioxolan-2-ylmethyl)-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and use as fungicides and bactericides | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-02-06 | — | — | EP | disclosed |
| EP-0006722-A1 | Derivatives of (4-(piperazin-1-yl-phenyloxymethyl)-1.3-dioxolan-2-ylmethyl)-1H-imidazoles and -1H-1.2.4-triazoles, their preparation and use as fungicides and bactericides | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-01-09 | — | — | EP | disclosed |
| US-4144346-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-03-13 | — | — | US | disclosed |