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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.47 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.44 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.44 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10733843 | 0.90 | SIGMAR1 (0.52) | SIGMAR1DRD2OPRM1CHRM2HTR1A | |
| SCHEMBL10730066 | 0.79 | DRD1 (0.69) | SIGMAR1DRD2OPRM1CHRM2HTR1A | |
| SCHEMBL10734758 | 0.72 | SIGMAR1 (0.45) | SIGMAR1DRD2OPRM1CHRM2HTR1A | |
| SCHEMBL10735171 | 0.72 | CCR1 (0.47) | SIGMAR1DRD2OPRM1OPRL1OPRK1 | |
| SCHEMBL10734119 | 0.72 | OPRL1 (0.50) | SIGMAR1DRD2OPRM1OPRL1OPRK1 | |
| SCHEMBL1961099 | 0.72 | SIGMAR1 (0.61) | SIGMAR1DRD2OPRM1DRD1OPRL1 | |
| SCHEMBL10728518 | 0.71 | SIGMAR1 (0.47) | SIGMAR1DRD2OPRM1CHRM2ADRA2A | |
| SCHEMBL10729718 | 0.70 | MAOA (0.44) | DRD2OPRM1CHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL10734704 | 0.70 | DRD1 (0.58) | SIGMAR1DRD2OPRM1CHRM2HTR1A | |
| SCHEMBL4924953 | 0.67 | DRD1 (0.58) | SIGMAR1DRD2HTR1ADRD1HTR2A |
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-4707476-A | TRANQUILIZERS | CIBA-GEIGY CORPORATION (US) | 1987-11-17 | — | — | US | disclosed |