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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 11/20 | 0.47 |
| ▸ | SLC6A4 known ✓ | P31645 | 10/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 7/20 | 0.34 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.34 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.34 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1260399 | 0.90 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL27573223 | 0.79 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL21193162 | 0.77 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL8097677 | 0.77 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| Sulfuric Acid SCHEMBL17673106 | 0.77 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL5599246 | 0.74 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL27736491 | 0.74 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL5505235 | 0.74 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL9628775 | 0.73 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL27636073 | 0.73 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3MLNRADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20090029887-A1 | USE OF IONIC LIQUIDS FOR THE NONCUTTING FORMING OF METALLIC WORKPIECES | EVONIK GOLDSCHMIDT GMBH (DE) | 2009-01-29 | — | — | US | disclosed |