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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL28658741 | 1.00 | CA1 (0.43) | CA1CA2CA7CA9CA14 | |
| SCHEMBL8259309 | 0.99 | CA1 (0.43) | CA1CA2CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL8298614 | 0.97 | CA1 (0.43) | CA1CA2CA7CA9CA14 | |
| SCHEMBL4478957 | 0.90 | NQO2 (0.41) | CA1CA2CA7CA9CA14 | |
| SCHEMBL19960840 | 0.85 | ALDH1A1 (0.40) | CA1CA2CA7CA9CA14 | |
| SCHEMBL7124159 | 0.84 | CA1 (0.46) | CA1CA2CA7CA9CA14 | |
| SCHEMBL10516146 | 0.84 | KMT2A (0.48) | CA1CA2CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL19953589 | 0.84 | TSHR (0.41) | CA1CA2CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL3534709 | 0.83 | CA1 (0.45) | CA1CA2CA7CA9CA14 | |
| SCHEMBL23119015 | 0.81 | TSHR (0.60) | TSHRNPSR1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-118580188-A | Can be used as ROR gamma regulator aniline compound (B) | 励缔(杭州)医药科技有限公司 | 2024-09-03 | — | — | CN | disclosed |
| CN-113773251-B | Anilines useful as rory modulators | 励缔(杭州)医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-113666863-B | Biaryl compounds useful as rory modulators | 励缔(杭州)医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |