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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.64 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.64 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.64 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.64 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.64 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL8814985 | 0.94 | SLC6A4 (0.71) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL8814992 | 0.94 | SLC6A4 (0.71) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL8816277 | 0.89 | SLC6A4 (0.55) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL8816275 | 0.89 | SLC6A4 (0.55) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9326522 | 0.88 | SLC6A4 (0.77) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9327654 | 0.88 | SLC6A4 (0.62) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9327647 | 0.88 | SLC6A4 (0.62) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9327999 | 0.86 | SLC6A4 (0.67) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9327662 | 0.86 | SLC6A4 (0.64) | SLC6A4HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL9327671 | 0.86 | SLC6A4 (0.64) | SLC6A4HTR1AADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993012754-A2 | TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS | ABBOTT LABORATORIES (US) | 1993-07-08 | — | — | WO | disclosed |