Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL3860923

Br.CCCCCCCCCCCC(C)N(Cc1ccc(CBr)cc1)C(C)CCCCCCCCCCC

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A known ✓ P08913 1/20 0.32
▸ ADRB3 known ✓ P13945 1/20 0.32
▸ SLC6A2 known ✓ P23975 1/20 0.32
▸ SLC6A4 known ✓ P31645 1/20 0.32
▸ SLC6A3 known ✓ Q01959 1/20 0.32
▸ MAPT P10636 1/20 0.36
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BDKRB2 P30411 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ HSPD1 P10809 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7764492 0.89 THRA (0.37) MAPTTHRATHRBBDKRB2KDM4E
Hydrochloric Acid SCHEMBL8720967 0.89 THRA (0.37) MAPTTHRATHRBBDKRB2KDM4E
Hydrochloric Acid SCHEMBL8719708 0.89 THRA (0.37) MAPTTHRATHRBBDKRB2KDM4E
Hydrochloric Acid SCHEMBL7760906 0.89 THRA (0.37) MAPTTHRATHRBBDKRB2KDM4E
Acetic Acid SCHEMBL7764900 0.81 THRA (0.42) THRATHRBALDH1A1
Hydrochloric Acid SCHEMBL7161620 0.81 CSNK1E (0.45) KCNH2ALDH1A1TP53SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL9702357 0.81 CSNK1E (0.45) KCNH2ALDH1A1TP53SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL15575511 0.81 CSNK1E (0.45) KCNH2ALDH1A1TP53SLC6A2SLC6A4
Malonic Acid SCHEMBL7765984 0.79 S1PR1 (0.43) THRATHRBALDH1A1
SCHEMBL3995399 0.79 CA1 (0.39) MAPTTHRATHRBBDKRB2ALDH1A1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553881-B2 Dental materials based on radically polymerizable macromers with antimicrobial effect IVOCLAR VIVADENT AG (LI) 2009-06-30 — — US disclosed
US-20070254979-A1 Dental materials based on radically polymerizable macromers with antimicrobial effect IVOCLAR VIVADENT AG (LI) 2007-11-01 — — US 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254979-A1 Dental materials based on radically polymerizable macromers with antimicrobial effect MSR1, PAM, C1R ADRA2A 2994/4885ADRB3 2226/4885SLC6A2 4790/4885

“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.