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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | HRH1 | P35367 | 3/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
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 SCHEMBL5789798 | 1.00 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| SCHEMBL774509 | 0.97 | MEN1 (0.55) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| SCHEMBL366705 | 0.97 | MEN1 (0.55) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| SCHEMBL735155 | 0.97 | MEN1 (0.55) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Iodide SCHEMBL27880620 | 0.95 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Water SCHEMBL9747158 | 0.95 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| SCHEMBL8405249 | 0.95 | MEN1 (0.53) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL27284036 | 0.95 | MEN1 (0.59) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL28035064 | 0.92 | MEN1 (0.57) | MEN1MAPTCYP2C9KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL28211053 | 0.92 | MEN1 (0.57) | MEN1MAPTCYP2C9KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7560585-B2 | Process for preparing (S)- alpha-cyano-3-phenoxybenzyl-(S)-2-(4-chlorophenyl)-isovalerate | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-07-14 | — | — | US | disclosed |
| US-20060128982-A1 | Process for preparing (S)- alpha-cyano-3-phenoxybenzyl-(S)-2-(4-chlorophenyl)-isovalerate | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH | 2006-06-15 | — | — | US | disclosed |
| WO-2006010994-A1 | PROCESS FOR PREPARING (S)-ALPHA-CYANO-3-PHENOXYBENZYL-(S)-2-(4-CHLOROPHENYL)-ISOVALERATE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-02-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060128982-A1 | Process for preparing (S)- alpha-cyano-3-phenoxybenzyl-(S)-2-(4-chlorophenyl)-isovalerate | PCCA, CHRNE, CHRNB4 | ACHE 1353/4885MEN1 3940/4885MAPT 3337/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.