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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30311333 | 0.97 | NOS1 (0.54) | NOS1CA1CA2DHFR | |
| SCHEMBL64019 | 0.97 | NOS1 (0.54) | NOS1CA1CA2DHFR | |
| Bromide SCHEMBL62895 | 0.95 | NOS1 (0.52) | NOS1CA1CA2DHFR | |
| Hydrochloric Acid SCHEMBL29568011 | 0.95 | NOS1 (0.52) | NOS1CA1CA2DHFR | |
| Hydrochloric Acid SCHEMBL3101407 | 0.95 | NOS1 (0.52) | NOS1CA1CA2DHFR | |
| Bromide SCHEMBL29695408 | 0.95 | NOS1 (0.52) | NOS1CA1CA2DHFR | |
| Bromide SCHEMBL28577318 | 0.83 | NOS1 (0.51) | NOS1DHFR | |
| SCHEMBL11327528 | 0.83 | PIK3CG (0.50) | NOS1CA1CA2 | |
| SCHEMBL31087253 | 0.83 | PIK3CG (0.50) | NOS1CA1CA2 | |
| Bromide SCHEMBL11634826 | 0.82 | DHFR (0.50) | DHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114624382-A | Method for measuring content of 2, 4-diamino-6-halogenated methyl pteridine and salt thereof | 南京海润医药有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-112851676-A | Synthesis process of methotrexate | 贵州医科大学 | 2021-05-28 | — | — | CN | disclosed |