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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | IDO1 | P14902 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.51 |
| ▸ | FLT1 | P17948 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL712594 | 0.98 | CA1 (0.58) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL5819670 | 0.82 | CA12 (0.65) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL974471 | 0.79 | KMT2A (0.56) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL3729389 | 0.78 | CA12 (0.60) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL29765489 | 0.78 | HDAC1 (0.61) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL17806411 | 0.77 | SMN1; SMN2 (0.51) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL5372882 | 0.77 | HDAC3 (0.58) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL1750909 | 0.77 | CA12 (0.58) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL6884496 | 0.77 | CA12 (0.58) | KMT2AMEN1LMNACA1CA12 | |
| SCHEMBL364110 | 0.77 | HDAC3 (0.58) | KMT2AMEN1LMNACA1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1343751-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002060859-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |