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.
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 | |
|---|---|---|---|---|
| SCHEMBL28073813 | 0.95 | CA12 (0.35) | — | |
| SCHEMBL9575365 | 0.95 | — | — | |
| Water SCHEMBL28315006 | 0.92 | — | — | |
| Acetic Acid SCHEMBL27354339 | 0.81 | ALDH1A1 (0.36) | — | |
| Acetic Acid SCHEMBL27418147 | 0.81 | ALDH1A1 (0.36) | — | |
| Acetic Acid SCHEMBL27487879 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL10709991 | 0.80 | CA12 (0.52) | — | |
| SCHEMBL8725076 | 0.80 | CA12 (0.52) | — | |
| Diethanolamine SCHEMBL28073808 | 0.80 | CA12 (0.36) | — | |
| Acetic Acid SCHEMBL28265064 | 0.80 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105176504-B | A kind of polyhydroxy organic amine water-base drilling fluid shale control agent and preparation method thereof | 西南石油大学 | 2016-10-05 | — | — | CN | claimed |
| CN-105176504-B | A kind of polyhydroxy organic amine water-base drilling fluid shale control agent and preparation method thereof | 西南石油大学 | 2016-10-05 | — | — | CN | disclosed |
| CN-105176504-B | A kind of polyhydroxy organic amine water-base drilling fluid shale control agent and preparation method thereof | 西南石油大学 | 2016-10-05 | — | — | CN | disclosed |