Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 SCHEMBL7962605 | 0.87 | SMN1; SMN2 (0.56) | SMN1; SMN2KMT2AALDH1A1GLAKDM4E | |
| Bromide SCHEMBL14967807 | 0.80 | SMN1; SMN2 (0.53) | SMN1; SMN2KMT2AALDH1A1GLAKDM4E | |
| SCHEMBL25340300 | 0.78 | SMN1; SMN2 (0.69) | SMN1; SMN2KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL18312424 | 0.77 | ALDH1A1 (0.59) | SMN1; SMN2KMT2AALDH1A1GLAKDM4E | |
| Bromide SCHEMBL8857714 | 0.77 | TP53 (0.58) | SMN1; SMN2ALDH1A1ALOX12HTTTAAR1 | |
| Ethyl Benzoate SCHEMBL55674 | 0.77 | LMNA (0.70) | SMN1; SMN2KMT2AALDH1A1MAPTMEN1 | |
| Ethyl Benzoate SCHEMBL2762273 | 0.77 | LMNA (0.70) | SMN1; SMN2KMT2AALDH1A1MAPTMEN1 | |
| Ethyl Benzoate SCHEMBL25388294 | 0.77 | LMNA (0.70) | SMN1; SMN2KMT2AALDH1A1MAPTMEN1 | |
| SCHEMBL15440784 | 0.77 | SMN1; SMN2 (0.58) | SMN1; SMN2KMT2AALDH1A1GLAMAPT | |
| Hydrochloric Acid SCHEMBL17907268 | 0.76 | CYP2D6 (0.53) | SMN1; SMN2ALDH1A1GAANPC1RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5480892-A | SIGMA RECEPTOR ANTAGONISTS; TREATMENT OF PHYSIOLOGICAL OR DRUG INDUCED PSYCHOSIS AND DYSKINESIA | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-02 | — | — | US | disclosed |
| US-5356906-A | (N-phthalimidoalkyl) piperidines useful as treatments for psychosis | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| WO-1993022310-A1 | (N-PHTHALIMIDOALKYL)PIPERIDINES FOR THE TREATMENT OF PSYCHOSES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-11-11 | — | — | WO | disclosed |
| EP-0497843-A4 | (N-PHTHALIMIDOALKYL) PIPERIDINES | — | 1992-09-23 | — | — | EP | disclosed |
| EP-0497843-A1 | (N-PHTHALIMIDOALKYL) PIPERIDINES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-08-12 | — | — | EP | disclosed |
| WO-1991006297-A1 | (N-PHTHALIMIDOALKYL) PIPERIDINES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-05-16 | — | — | WO | disclosed |