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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL8314136 | 0.86 | PNMT (0.45) | CYP2D6OPRM1DRD4HSD11B1 | |
| SCHEMBL348028 | 0.73 | PNMT (0.54) | CYP2D6OPRM1DRD4HSD11B1 | |
| Hydrochloric Acid SCHEMBL29535702 | 0.72 | PNMT (0.52) | POLBCYP2D6OPRM1DRD4HSD11B1 | |
| SCHEMBL25053841 | 0.67 | OPRM1 (0.36) | OPRM1DRD4KMT2AMEN1HSD11B1 | |
| SCHEMBL22918207 | 0.67 | HPGD (0.37) | POLBKMT2ASMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL2677751 | 0.65 | HSD11B1 (0.42) | NPY5RHSD11B1 | |
| SCHEMBL16420398 | 0.63 | POLB (0.47) | POLBOPRM1DRD4TSHRALDH1A1 | |
| SCHEMBL11609330 | 0.63 | CYP2D6 (0.45) | ALOX15CYP2D6CYP1A2HIF1AOPRM1 | |
| SCHEMBL2638204 | 0.63 | TSHR (0.84) | POLBCYP2D6TSHRSMN1; SMN2ALDH1A1 | |
| Biphenyl SCHEMBL21462355 | 0.62 | ALDH1A1 (0.53) | TSHRSMN1; SMN2ALDH1A1 |
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-6011154-A | Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present | SANOFI (FR) | 2000-01-04 | — | — | US | disclosed |