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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.92 |
| ▸ | ADRB1 known ✓ | P08588 | 4/20 | 0.57 |
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.57 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 3/20 | 0.57 |
| ▸ | NCF1 | P14598 | 1/20 | 0.92 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.92 |
| ▸ | CHKA | P35790 | 1/20 | 0.59 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.57 |
| ▸ | HTR3B | O95264 | 3/20 | 0.57 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.57 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL639824 | 0.98 | ADRB2 (0.96) | ADRB2NCF1PLD1CHKAADRB1 | |
| SCHEMBL894239 | 0.96 | ADRB2 (1.00) | ADRB2NCF1PLD1CHKAADRB1 | |
| SCHEMBL74335 | 0.96 | ADRB2 (1.00) | ADRB2NCF1PLD1CHKAADRB1 | |
| Hydrochloric Acid SCHEMBL23932586 | 0.90 | ADRB2 (0.81) | ADRB2NCF1PLD1CHKAADRB1 | |
| Formaldehyde SCHEMBL28065716 | 0.90 | ADRB2 (0.88) | ADRB2NCF1PLD1CHKAADRB1 | |
| SCHEMBL1485073 | 0.88 | ADRB2 (0.85) | ADRB2NCF1PLD1CHKAADRB1 | |
| SCHEMBL24990328 | 0.84 | ADRB2 (0.78) | ADRB2NCF1PLD1CHKAADRB1 | |
| Acetic Acid SCHEMBL27482977 | 0.83 | ADRB2 (0.76) | ADRB2NCF1PLD1CHKAADRB1 | |
| Phenylpiperazine SCHEMBL28173277 | 0.80 | ADRB1 (0.77) | ADRB2NCF1PLD1ADRB1HTR3E | |
| SCHEMBL12431850 | 0.80 | ADRB2 (0.70) | ADRB2NCF1PLD1CHKAADRB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5561140-A | IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1996-10-01 | — | — | US | disclosed |
| US-5530119-A | IMMUNOSUPPRESSANTS | ABBOTT LABORATORIES (US) | 1996-06-25 | — | — | US | disclosed |
| EP-0690713-A1 | SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994021254-A1 | SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1994-09-29 | — | — | WO | disclosed |