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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | APP | P05067 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL155113 | 0.98 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL28039298 | 0.96 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL30184653 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29689196 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL111151 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL1299012 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL205027 | 0.78 | GAA (0.47) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL20509 | 0.77 | CA2 (0.56) | ALDH1A1CYP3A4TDP1TSHRAPP | |
| SCHEMBL29419589 | 0.77 | CA2 (0.56) | ALDH1A1CYP3A4TDP1TSHRAPP | |
| SCHEMBL25033177 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235871-B1 | Synthesis of oligoarylamines, and uses and reagents related thereto | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2001-05-22 | — | — | US | disclosed |
| WO-1999028290-A1 | SYNTHESIS OF OLIGOARYLAMINES, AND USES AND REAGENTS RELATED THERETO | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1999-06-10 | — | — | WO | disclosed |