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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6152131 | 0.98 | CA12 (0.57) | CA12CA3CA4CA6CA5A | |
| Bromide SCHEMBL6152621 | 0.88 | KAT2B (0.54) | CA12CA3CA4CA6CA5A | |
| SCHEMBL7996193 | 0.88 | MAPT (0.52) | CA12CA3CA4CA6CA5A | |
| SCHEMBL6152099 | 0.85 | KAT2B (0.55) | CA12CA3CA4CA6CA5A | |
| SCHEMBL11233333 | 0.84 | CA12 (0.49) | CA12CA3CA4CA6CA5A | |
| SCHEMBL28294998 | 0.79 | CA12 (0.65) | CA12CA3CA4CA6CA5A | |
| SCHEMBL6954997 | 0.78 | MAPT (0.75) | CA12CA3CA4CA6CA5A | |
| Hydrochloric Acid SCHEMBL27766104 | 0.77 | MAPT (0.72) | CA12CA3CA4CA6CA5A | |
| SCHEMBL27650047 | 0.77 | IDO1 (0.42) | CA12CA3CA4CA6CA5A | |
| SCHEMBL22171683 | 0.76 | CA12 (0.62) | CA12CA3CA4CA6CA5A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1309540-B1 | OXIDIZING COLORANT | HENKEL KGAA (DE) | 2005-11-02 | — | — | EP | disclosed |
| EP-1309540-A1 | OXIDIZING COLORANT | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002010118-A1 | OXIDIZING COLORANT | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-02-07 | — | — | WO | disclosed |