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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28247876 | 0.96 | CES2 (0.48) | CES2CES1EPHX2FAAHMEN1 | |
| Phenol SCHEMBL9194901 | 0.83 | HSD17B3 (0.54) | CES2CES1EPHX2MEN1KMT2A | |
| Octanoic Acid SCHEMBL8458993 | 0.83 | GPR84 (0.59) | CES2CES1MEN1KMT2AALDH1A1 | |
| Benzoic Acid SCHEMBL20537031 | 0.82 | CES2 (0.55) | CES2CES1MAPT | |
| Hexanoate SCHEMBL10610885 | 0.81 | AKR1B1 (0.57) | CES2CES1MEN1KMT2AALDH1A1 | |
| Octanoic Acid SCHEMBL27495786 | 0.81 | GPR84 (0.61) | CES2CES1MEN1KMT2AALDH1A1 | |
| Nonanoate SCHEMBL21603090 | 0.81 | GPR84 (0.61) | CES2CES1MEN1KMT2AALDH1A1 | |
| Stearic Acid SCHEMBL27541455 | 0.81 | GPR84 (0.61) | CES2CES1MEN1KMT2AALDH1A1 | |
| Bromide SCHEMBL1244460 | 0.80 | FAAH (0.59) | CES2CES1FAAHMEN1KMT2A | |
| Bromide SCHEMBL6552300 | 0.80 | FAAH (0.59) | CES2CES1FAAHMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104672433-B | Clear sheet composition epoxy resin and its solidfied material and optical sheet | 日本化药株式会社 | 2018-02-09 | — | — | CN | disclosed |