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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 18/20 | 0.50 |
| ▸ | NOS1 | P29475 | 7/20 | 0.46 |
| ▸ | PDE5A | O76074 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5128174 | 0.95 | NOS2 (0.50) | NOS2NOS1 | |
| SCHEMBL5123228 | 0.90 | NOS2 (0.49) | NOS2NOS1PDE5A | |
| SCHEMBL5116183 | 0.88 | NOS2 (0.50) | NOS2NOS1 | |
| SCHEMBL5128257 | 0.86 | NOS2 (0.52) | NOS2NOS1PDE5A | |
| SCHEMBL1961334 | 0.85 | NOS2 (0.53) | NOS2NOS1 | |
| SCHEMBL5115231 | 0.84 | NOS2 (0.49) | NOS2NOS1PDE5A | |
| SCHEMBL5121800 | 0.83 | NOS2 (0.49) | NOS2NOS1 | |
| SCHEMBL5128952 | 0.83 | NOS2 (0.47) | NOS2NOS1PDE5A | |
| SCHEMBL5114371 | 0.82 | PDE5A (0.48) | NOS2NOS1PDE5A | |
| SCHEMBL5130771 | 0.81 | PDE5A (0.43) | PDE5A |
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-6110920-A | TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-08-29 | — | — | US | disclosed |