Sugi Predict

Sugi Predict / Compounds / Bromide

Bromide

Bromide

SCHEMBL6700469

Br.Br.CCP(Cc1ccccc1)CP(CC)Cc1ccccc1

nearest known ligand 0.44

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
▸ SIGMAR1 known ✓ Q99720 2/20 0.32
▸ SLC6A2 known ✓ P23975 2/20 0.32
▸ SLC6A4 known ✓ P31645 2/20 0.32
▸ SLC6A3 known ✓ Q01959 2/20 0.32
▸ CHRM2 known ✓ P08172 1/20 0.32
▸ HTR1A known ✓ P08908 1/20 0.32
▸ ADRA2A known ✓ P08913 1/20 0.32
▸ ADRA1A known ✓ P35348 1/20 0.32
▸ TP53 P04637 1/20 0.44
▸ CALM1 P0DP23 1/20 0.36
▸ TSHR P16473 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRM1 P11229 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
SCHEMBL6951031 0.88 TP53 (0.50) TP53CALM1TSHRALDH1A1KDM4E
SCHEMBL4238238 0.88 TP53 (0.50) TP53CALM1TSHRALDH1A1KDM4E
Bromide SCHEMBL6699893 0.86 TP53 (0.44) TP53CALM1TSHRALDH1A1KDM4E
SCHEMBL12154871 0.83 CALM1 (0.45) TP53CALM1TSHRALDH1A1IDO1
Bromide SCHEMBL6698649 0.83 TP53 (0.41) TP53CALM1TSHRALDH1A1KDM4E
SCHEMBL196203 0.77 CALM1 (0.50) TP53CALM1TSHRALDH1A1IDO1
SCHEMBL5391507 0.77 TP53 (0.39) TP53SIGMAR1KCNH2
Bromide SCHEMBL6702141 0.76 TP53 (0.42) TP53CALM1TSHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11804664 0.75 CALM1 (0.47) TP53CALM1TSHRALDH1A1KDM4E
SCHEMBL11678015 0.75 CALM1 (0.47) TP53CALM1TSHRALDH1A1IDO1

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-6774265-B2 SALT FORMATION REACTION OF PHOSPHINE AND SECONDARY PHOSPHINE IN ALCOHOLIC SOLVENT NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2004-08-10 — — US disclosed
US-20040138504-A1 BISPHOSPHONIUM SALT AND PROCESS FOR PRODUCING THE SAME NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2004-07-15 — — 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-20040138504-A1 BISPHOSPHONIUM SALT AND PROCESS FOR PRODUCING THE SAME PIP5K1B, PIP5K1A, PHOSPHO1 SIGMAR1 1266/4885SLC6A2 3633/4885SLC6A4 3115/4885

“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.