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 | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 1.00 |
| ▸ | NOS1 | P29475 | 7/20 | 0.95 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.95 |
| ▸ | NPC1 | O15118 | 1/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.95 |
| ▸ | RAB9A | P51151 | 1/20 | 0.95 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.95 |
| ▸ | IDO1 | P14902 | 8/20 | 0.81 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | NOS3 | P29474 | 2/20 | 0.70 |
| ▸ | NOS2 | P35228 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4316762 | 0.98 | NOS1 (1.00) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL13067607 | 0.91 | NOS1 (0.88) | BLMNPSR1NOS1CYP2D6NPC1 | |
| Bromide SCHEMBL38664821 | 0.90 | BLM (0.81) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL11452419 | 0.89 | NOS1 (1.00) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL9198311 | 0.88 | NOS1 (0.81) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL13825572 | 0.88 | NOS1 (0.81) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL9198740 | 0.88 | NOS1 (0.81) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL11443614 | 0.88 | IDO1 (1.00) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL26313697 | 0.88 | NOS1 (0.81) | BLMNPSR1NOS1CYP2D6NPC1 | |
| SCHEMBL26313250 | 0.88 | NOS1 (0.81) | BLMNPSR1NOS1CYP2D6NPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002069910-A2 | USE OF SUBSTANCES THAT PREVENT THAT THE NO SYNTHASE OF WARM-BLOODED ORGANISMS TAKES EFFECT, FOR PRODUCING COSMETIC OR DERMATOLOGICAL PREPARATIONS FOR THE TREATMENT AND/OR THE PROPHYLAXIS OF UNDESIRED SKIN PIGMENTATION | BEIERSDORF AG (DE) | 2002-09-12 | — | — | WO | claimed |
| US-8772274-B1 | Anti-cancer compositions and methods | THE PENN STATE RESEARCH FOUNDATION (US) | 2014-07-08 | — | — | US | disclosed |
| US-8309541-B1 | Anti-cancer compositions and methods | THE PENN STATE RESEARCH FOUNDATION (US) | 2012-11-13 | — | — | US | disclosed |
| US-8003633-B1 | Anti-cancer compositions and methods | THE PENN STATE RESEARCH FOUNDATION (US) | 2011-08-23 | — | — | US | disclosed |
| US-20090186929-A1 | Method and agent for inducing apoptosis/cell death in leukemia cells | U.S. DEPARTMENT OF VETERANS AFFAIRS (US) | 2009-07-23 | — | — | US | disclosed |
| WO-2002069910-A2 | USE OF SUBSTANCES THAT PREVENT THAT THE NO SYNTHASE OF WARM-BLOODED ORGANISMS TAKES EFFECT, FOR PRODUCING COSMETIC OR DERMATOLOGICAL PREPARATIONS FOR THE TREATMENT AND/OR THE PROPHYLAXIS OF UNDESIRED SKIN PIGMENTATION | BEIERSDORF AG (DE) | 2002-09-12 | — | — | WO | disclosed |