Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRAP1 | Q12931 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 9/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL699062 | 0.84 | HIF1A (0.56) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL2971315 | 0.82 | HIF1A (0.58) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| Sulfuric Acid SCHEMBL21933060 | 0.80 | TRAP1 (0.47) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL34778 | 0.79 | HIF1A (0.42) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL35255 | 0.77 | HIF1A (0.44) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| Bromide SCHEMBL5830128 | 0.77 | HIF1A (0.61) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL31447355 | 0.76 | HIF1A (0.74) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29466951 | 0.76 | HIF1A (0.74) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL29438162 | 0.76 | HIF1A (0.74) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL17746597 | 0.76 | HIF1A (0.50) | TRAP1HIF1AALDH1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130064768-A1 | LIPOPHILIC CATIONIC PROBE FOR PET-IMAGING | MEDICAL RESEARCH COUNCIL (GB) | 2013-03-14 | — | — | US | disclosed |
| EP-2552494-A1 | LIPOPHILIC CATIONIC PROBE FOR PET- IMAGING | Medical Research Council (GB) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121276-A1 | LIPOPHILIC CATIONIC PROBE FOR PET- IMAGING | MEDICAL RESEARCH COUNCIL (GB) | 2011-10-06 | — | — | WO | disclosed |