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 | |
|---|---|---|---|---|
| ▸ | GLI1 | P08151 | 1/20 | 0.59 |
| ▸ | NOS2 | P35228 | 3/20 | 0.58 |
| ▸ | NOS3 | P29474 | 2/20 | 0.58 |
| ▸ | NOS1 | P29475 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 5/20 | 0.43 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.42 |
| ▸ | FAP | Q12884 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SCN4A | P35499 | 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 SCHEMBL7327552 | 1.00 | GLI1 (0.59) | GLI1NOS2NOS3NOS1KMT2A | |
| SCHEMBL572346 | 0.98 | — | — | |
| SCHEMBL240170 | 0.98 | — | — | |
| SCHEMBL221055 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL25236164 | 0.95 | GLI1 (0.59) | GLI1NOS2NOS3NOS1KMT2A | |
| Hydrochloric Acid SCHEMBL6976932 | 0.95 | GLI1 (0.59) | GLI1NOS2NOS3NOS1KMT2A | |
| Hydrochloric Acid SCHEMBL4316344 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL30937515 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL241228 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL241227 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0384380-A2 | Novel peptide derivatives and their pharmaceutical use | JAPAN TOBACCO INC. (JP) | 1990-08-29 | — | — | EP | disclosed |
| EP-0171159-A1 | Substituted azetidinone compounds, their preparation, and medicaments containing them | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1986-02-12 | — | — | EP | disclosed |