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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 13/20 | 0.53 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5051511 | 0.97 | ACHE (0.56) | ACHEBCHESMN1; SMN2HDAC1HDAC6 | |
| Bromide SCHEMBL4003015 | 0.84 | ACHE (0.45) | ACHEBCHESMN1; SMN2NPC1HPGD | |
| Bromide SCHEMBL231675 | 0.83 | ALDH1A1 (0.48) | ACHESMN1; SMN2NPC1HPGDRAB9A | |
| Bromide SCHEMBL232864 | 0.82 | ACHE (0.45) | ACHESMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL485968 | 0.82 | ALDH1A1 (0.50) | ACHESMN1; SMN2NPC1HPGDRAB9A | |
| SCHEMBL10256642 | 0.82 | CARM1 (0.55) | SMN1; SMN2SIGMAR1 | |
| Bromide SCHEMBL231807 | 0.81 | ACHE (0.44) | ACHEBCHESMN1; SMN2NPC1HPGD | |
| Bromide SCHEMBL6055901 | 0.80 | ACHE (0.43) | ACHESMN1; SMN2HDAC1NPC1HPGD | |
| Bromide SCHEMBL231434 | 0.79 | DNM1 (0.59) | ACHESMN1; SMN2NPC1HPGDRAB9A | |
| Bromide SCHEMBL29669478 | 0.79 | DNM1 (0.51) | ACHESMN1; SMN2NPC1HPGDRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008002852-A2 | CROSSLINKABLE MACROMERS | SURMODICS, INC. (US) | 2008-01-03 | — | — | WO | disclosed |
| US-5714360-A | CROSSLINKING A SURFACE WITH A TARGET MOLECULE; BIOLOGICAL IMMOBILIZATION; MEDICAL EQUIPMENT; SURFACE TREATMENT | BSI CORPORATION (US) | 1998-02-03 | — | — | US | disclosed |