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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 18/20 | 0.55 |
| ▸ | OGFRL1 | Q5TC84 | 9/20 | 0.55 |
| ▸ | OPRL1 | P41146 | 13/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.45 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL4054423 | 0.94 | OPRM1 (0.53) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4049406 | 0.85 | OPRM1 (0.46) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4057296 | 0.85 | OPRM1 (0.46) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4047362 | 0.85 | OPRM1 (0.50) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL4049796 | 0.83 | OPRM1 (0.56) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Trifluoromethanesulfonic Acid SCHEMBL4059045 | 0.76 | OPRM1 (0.62) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL4055133 | 0.74 | OPRM1 (0.73) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL4047623 | 0.74 | OPRM1 (0.49) | OPRM1OGFRL1OPRL1OPRK1 | |
| SCHEMBL681592 | 0.71 | OPRM1 (1.00) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Sulfuric Acid SCHEMBL5651389 | 0.71 | OPRM1 (0.48) | OPRM1OGFRL1OPRL1OPRK1 |
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-1697379-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-03-25 | — | — | EP | claimed |