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 | |
|---|---|---|---|---|
| ▸ | TRAP1 | Q12931 | 1/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.48 |
| ▸ | TUBB | P07437 | 3/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.48 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.48 |
| ▸ | TUBB2B | Q9BVA1 | 3/20 | 0.48 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.48 |
| ▸ | G6PD | P11413 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 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 SCHEMBL9683147 | 0.85 | TRAP1 (0.56) | TRAP1ABCB1CYP19A1 | |
| Bromide SCHEMBL11094493 | 0.82 | CHRNA7 (0.52) | TRAP1ABCB1CYP19A1 | |
| Bromide SCHEMBL723263 | 0.81 | PTGS2 (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Phosphine SCHEMBL28014269 | 0.80 | PTGS2 (0.46) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Bromide SCHEMBL30132765 | 0.80 | TRAP1 (0.64) | TRAP1 | |
| Bromide SCHEMBL27200194 | 0.80 | TRAP1 (0.64) | TRAP1 | |
| SCHEMBL7896500 | 0.79 | TUBB4A (0.61) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Hydrochloric Acid SCHEMBL4889037 | 0.78 | PTGS2 (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL30132756 | 0.78 | TRAP1 (0.65) | TRAP1 | |
| SCHEMBL6780622 | 0.77 | G6PD (0.51) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-5321135-A | Process for the preparation of polycyclic compounds using ferric perchlorate and acid trifluoroacidic | TSUMURA & CO. (JP) | 1994-06-14 | — | — | US | disclosed |
| EP-0594890-A1 | Polycyclic compounds, their preparation and their use as phosphodiesterases inhibitors | TSUMURA & CO. (JP) | 1994-05-04 | — | — | EP | disclosed |
| EP-0511666-A1 | Process for the preparation of polycyclic compounds | TSUMURA & CO. (JP) | 1992-11-04 | — | — | EP | disclosed |