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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MMP2 | P08253 | 7/20 | 0.37 |
| ▸ | MMP8 | P22894 | 7/20 | 0.37 |
| ▸ | MMP12 | P39900 | 7/20 | 0.37 |
| ▸ | MMP14 | P50281 | 7/20 | 0.37 |
| ▸ | MMP1 | P03956 | 6/20 | 0.37 |
| ▸ | MMP9 | P14780 | 6/20 | 0.37 |
| ▸ | MMP13 | P45452 | 5/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9620183 | 0.98 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL7477025 | 0.82 | MAPT (0.55) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL20378840 | 0.80 | NPC1 (0.54) | NPC1RAB9AMAPTSMN1; SMN2NOTUM | |
| SCHEMBL20378944 | 0.80 | MAPT (0.53) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL20378953 | 0.79 | MAPT (0.51) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL20378948 | 0.79 | RAB9A (0.49) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL20379019 | 0.79 | MAPT (0.56) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| Bromide SCHEMBL7481049 | 0.78 | NPC1 (0.51) | NPC1RAB9AMAPTSMN1; SMN2MMP2 | |
| SCHEMBL18388771 | 0.78 | NPC1 (0.51) | NPC1RAB9AMAPTSMN1; SMN2NOTUM | |
| SCHEMBL20378978 | 0.76 | MAPT (0.49) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1191024-A1 | Thiadiazines and their use as inhibitors of metalloproteinases | Tschesche, Harald (DE) | 2002-03-27 | — | — | EP | disclosed |