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 | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
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 SCHEMBL28264772 | 1.00 | CASP3 (0.46) | CASP3RAB9AATMNPSR1SENP8 | |
| Bromide SCHEMBL28631392 | 1.00 | CASP3 (0.46) | CASP3RAB9AATMNPSR1SENP8 | |
| SCHEMBL101153 | 0.98 | CASP3 (0.47) | CASP3RAB9AATMNPSR1SENP8 | |
| Iodide SCHEMBL27561391 | 0.96 | CASP3 (0.46) | CASP3RAB9AATMNPSR1SENP8 | |
| Hydrochloric Acid SCHEMBL27775077 | 0.96 | CASP3 (0.46) | CASP3RAB9AATMNPSR1SENP8 | |
| Iodide SCHEMBL14844987 | 0.96 | CASP3 (0.46) | CASP3RAB9AATMNPSR1SENP8 | |
| SCHEMBL28208023 | 0.96 | KDM4E (0.47) | CASP3RAB9AATMNPSR1SENP8 | |
| SCHEMBL9193904 | 0.88 | CASP3 (0.42) | CASP3RAB9AATMNPSR1SENP8 | |
| Acetonitrile SCHEMBL28236935 | 0.88 | CASP3 (0.42) | CASP3RAB9AATMNPSR1SENP8 | |
| Sulfuric Acid SCHEMBL29286627 | 0.87 | TDP1 (0.44) | CASP3RAB9AATMNPSR1SENP8 |
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-110357906-B | Double-spiropyran fluorescent probe and synthetic method and application thereof | 中山大学 | 2021-10-08 | — | — | CN | claimed |
| CN-110357906-B | Double-spiropyran fluorescent probe and synthetic method and application thereof | 中山大学 | 2021-10-08 | — | — | CN | disclosed |