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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.48 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.48 |
| ▸ | DRD4 known ✓ | P21917 | 2/20 | 0.38 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.38 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9736226 | 0.92 | CA1 (0.44) | HTR1ASLC6A4CA1CA2ACHE | |
| Hydrochloric Acid SCHEMBL9520952 | 0.84 | HTR1A (0.42) | HTR1ASLC6A4SIGMAR1CARM1DRD4 | |
| Hydrochloric Acid SCHEMBL9523462 | 0.80 | ADRA2A (0.39) | SLC6A4CARM1 | |
| Hydrochloric Acid SCHEMBL9521607 | 0.77 | KMT2A (0.42) | HTR1ASLC6A4TAS1R3TAS1R1TAS1R2 | |
| Hydrochloric Acid SCHEMBL9521304 | 0.74 | STS (0.40) | SLC6A4CARM1 | |
| Hydrochloric Acid SCHEMBL9521354 | 0.74 | PARP1 (0.38) | MAOAMAOB | |
| SCHEMBL9715572 | 0.73 | HTR1A (0.88) | HTR1ASLC6A4 | |
| Hydrochloric Acid SCHEMBL9466647 | 0.71 | HTR2A (0.36) | HTR1ASLC6A4SIGMAR1CARM1DRD4 | |
| SCHEMBL9520555 | 0.68 | CARM1 (0.36) | CARM1 | |
| Bromide SCHEMBL9522901 | 0.66 | ESR1 (0.44) | SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5140040-A | Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) | ABBOTT LABORATORIES (US) | 1992-08-18 | — | — | US | disclosed |
| US-5086074-A | Selective adrenergic receptor antagonists | ABBOTT LABORATORIES (US) | 1992-02-04 | — | — | US | disclosed |