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 | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 2/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9734986 | 0.81 | HTT (0.54) | POLBKDM4EGAASMN1; SMN2HTT | |
| SCHEMBL9906579 | 0.80 | POLB (0.52) | ACACBPOLBKDM4ECYP1A2GAA | |
| Hydrochloric Acid SCHEMBL9735410 | 0.78 | BCHE (0.48) | ACACBKDM4EBCHEALDH1A1LMNA | |
| SCHEMBL9734223 | 0.77 | HRH3 (0.50) | BCHEALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL28789431 | 0.77 | HRH3 (0.59) | ACACBPOLBKDM4ECYP1A2GAA | |
| SCHEMBL28676699 | 0.77 | POLB (0.49) | ACACBPOLBKDM4ECYP1A2GAA | |
| Hydrochloric Acid SCHEMBL9735168 | 0.76 | TDP1 (0.51) | GAABCHELMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL9735402 | 0.76 | ACACB (0.49) | ACACBBCHELMNA | |
| Hydrochloric Acid SCHEMBL9734547 | 0.76 | HRH3 (0.49) | BCHEALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9735128 | 0.74 | HRH3 (0.45) | ACACBCYP2D6BCHESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5135955-A | Anticoagulants or antifungal activity | ELI LILLY AND COMPANY (US) | 1992-08-04 | — | — | US | disclosed |
| EP-0339878-A2 | Propanamine derivatives | ELI LILLY AND COMPANY (US) | 1989-11-02 | — | — | EP | disclosed |