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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 11/20 | 0.63 |
| ▸ | ADRA1A known ✓ | P35348 | 6/20 | 0.63 |
| ▸ | ADRA1D known ✓ | P25100 | 5/20 | 0.63 |
| ▸ | ADRA1B known ✓ | P35368 | 5/20 | 0.63 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.45 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.45 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.45 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.45 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8876440 | 0.96 | HTR1A (0.65) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| Water SCHEMBL8875719 | 0.95 | HTR1A (0.65) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8877396 | 0.92 | HTR1A (0.68) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8876514 | 0.87 | HTR1A (0.63) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8877240 | 0.85 | HTR1A (0.68) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| Hydrochloric Acid SCHEMBL8874623 | 0.84 | HTR1A (0.67) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8875323 | 0.82 | HTR1A (0.65) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8878645 | 0.82 | HTR1A (0.65) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8875141 | 0.82 | HTR1A (0.76) | HTR1AADRA1AADRA1DADRA1BLMNA | |
| SCHEMBL8875603 | 0.82 | HTR1A (0.68) | HTR1AADRA1AADRA1DADRA1BLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |
| US-5474994-A | Treating hypertension, urethral and lower urinary tract contractions | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-12-12 | — | — | US | disclosed |
| EP-0558245-A1 | Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors | RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) | 1993-09-01 | — | — | EP | disclosed |