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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12637467 | 0.83 | SMN1; SMN2 (0.43) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL12637464 | 0.76 | ENPP1 (0.42) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL1748098 | 0.75 | ALDH1A1 (0.66) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL12637468 | 0.75 | SMN1; SMN2 (0.47) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL11014205 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL14101344 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| Bromide SCHEMBL11833484 | 0.74 | ALDH1A1 (0.96) | ALDH1A1MAPTLMNASMN1; SMN2GAA | |
| SCHEMBL8273583 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL12637466 | 0.73 | ENPP1 (0.44) | ALDH1A1MAPTLMNASMN1; SMN2HTT | |
| SCHEMBL14127197 | 0.73 | ALDH1A1 (0.63) | ALDH1A1MAPTLMNASMN1; SMN2HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3937714-A | 2-AMINOBENZOTHIAZOLES, HYDRAZINE, ACID CATALYSTS | ELI LILLY AND COMPANY (US) | 1976-02-10 | — | — | US | disclosed |