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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.56 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.53 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.49 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.53 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1682035 | 0.99 | CYP2D6 (0.65) | CYP2D6TSHRSIGMAR1CYP3A4ALDH1A1 | |
| SCHEMBL1681861 | 0.94 | CYP2D6 (0.58) | CYP2D6TSHRSIGMAR1CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1681923 | 0.93 | CYP2D6 (0.57) | CYP2D6TSHRSIGMAR1CYP3A4ALDH1A1 | |
| Bromide SCHEMBL1681744 | 0.88 | ALDH1A1 (0.60) | CYP2D6TSHRCYP3A4ALDH1A1BCHE | |
| SCHEMBL1681970 | 0.86 | ALDH1A1 (0.61) | CYP2D6TSHRCYP3A4ALDH1A1BCHE | |
| Bromide SCHEMBL1681757 | 0.85 | CCR3 (0.58) | CYP2D6SIGMAR1CYP3A4ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL1681816 | 0.85 | ALDH1A1 (0.60) | CYP2D6TSHRCYP3A4ALDH1A1BCHE | |
| Bromide SCHEMBL1681802 | 0.84 | SLC6A12 (0.52) | CYP2D6SIGMAR1CYP3A4ALDH1A1MEN1 | |
| SCHEMBL1682046 | 0.84 | CCR3 (0.59) | CYP2D6SIGMAR1CYP3A4ALDH1A1POLB | |
| SCHEMBL1682002 | 0.83 | SLC6A12 (0.53) | CYP2D6SIGMAR1CYP3A4ALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8501778-B2 | Aralkyl piperidine derivatives and their uses as antalgic or ataractic agent | NHWA PHARMA. CORPORATION (CN) | 2013-08-06 | — | — | US | disclosed |
| EP-2305645-B1 | ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT | NHWA PHARMA CORP (CN) | 2012-05-16 | — | — | EP | disclosed |
| US-20110105503-A1 | ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT | NHWA PHARMA. CORPORATION (CN) | 2011-05-05 | — | — | US | disclosed |
| EP-2305645-A1 | ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT | NHWA Pharma.corporation (CN) | 2011-04-06 | — | — | EP | 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-20110105503-A1 | ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT | ADK, AAK1, ATAD5 | SIGMAR1 2402/4885ACHE 65/4885CHRM2 4080/4885 |
“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.