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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 8/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.88 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
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 SCHEMBL3899568 | 1.00 | APOBEC3A (0.88) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| Bromide SCHEMBL27692935 | 1.00 | APOBEC3A (0.88) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| Bromide SCHEMBL80468 | 1.00 | APOBEC3A (0.88) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| Bromide SCHEMBL10995902 | 0.97 | APOBEC3A (0.82) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| Bromide SCHEMBL80467 | 0.97 | APOBEC3A (0.82) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| Bromide SCHEMBL3899564 | 0.97 | APOBEC3A (0.82) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| Bromide SCHEMBL27447054 | 0.97 | APOBEC3A (0.82) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| Bromide SCHEMBL30600378 | 0.97 | APOBEC3A (0.82) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| SCHEMBL12020269 | 0.97 | APOBEC3A (0.93) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E | |
| SCHEMBL147815 | 0.97 | APOBEC3A (0.93) | APOBEC3AAPOBEC3GACHEALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101180290-B | Hydogrenated benzo[c] thiophene derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD | 2012-12-12 | — | — | CN | disclosed |
| CN-101180290-A | Hydogrenated benzo[c] thiophene derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD (CH) | 2008-05-14 | — | — | CN | disclosed |