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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
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 SCHEMBL8065180 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL26037 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL29575794 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL8872842 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL23300518 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL10699512 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL11766347 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL11591300 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL30144090 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL38652046 | 0.94 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047677-A2 | Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid | BRACCO S.p.A. (IT) | 2000-11-02 | — | — | EP | claimed |
| WO-1999035133-A2 | 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS | BRACCO S.P.A. (IT) | 1999-07-15 | — | — | WO | claimed |
| EP-1047677-A2 | Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid | BRACCO S.p.A. (IT) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999035133-A2 | 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS | BRACCO S.P.A. (IT) | 1999-07-15 | — | — | WO | disclosed |