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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CALML3 | P27482 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6212644 | 0.92 | HTR2B (0.47) | HTR2BMAOAMAOBMAPTCALML3 | |
| SCHEMBL6214722 | 0.92 | HTR2B (0.47) | HTR2BMAOAMAOBMAPTCALML3 | |
| SCHEMBL6212651 | 0.92 | HTR2B (0.47) | HTR2BMAOAMAOBMAPTCALML3 | |
| SCHEMBL9230342 | 0.77 | HTR2B (0.41) | HTR2BMAOA | |
| SCHEMBL14116945 | 0.76 | HTR2B (0.48) | HTR2BMAOAMAPT | |
| SCHEMBL13647701 | 0.76 | HTR2B (0.48) | HTR2BMAOAMAPT | |
| SCHEMBL10368359 | 0.75 | HTR2B (0.41) | HTR2BMAOAMAOBCALML3 | |
| SCHEMBL10368363 | 0.75 | HTR2B (0.41) | HTR2BMAOAMAOBCALML3 | |
| SCHEMBL20989997 | 0.75 | HTR2B (0.47) | HTR2BMAOAMAPT | |
| SCHEMBL22849920 | 0.75 | HTR2B (0.47) | HTR2BMAOAMAPTPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0153746-B1 | 3-AMINO-2-HYDROXYPROPYL DERIVATIVES OF PYRIMIDIN-4-ONE | MERCK & CO. INC. (US) | 1990-11-22 | — | — | EP | disclosed |
| US-4602093-A | ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1986-07-22 | — | — | US | disclosed |
| US-4598149-A | ADRENERGIC BLOCKING AGENTS | MERCK & CO., INC. (US) | 1986-07-01 | — | — | US | disclosed |
| EP-0153746-A2 | 3-Amino-2-hydroxypropyl derivatives of pyrimidin-4-one | MERCK & CO. INC. (US) | 1985-09-04 | — | — | EP | disclosed |