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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7435646 | 0.97 | SMN1; SMN2 (0.53) | SMN1; SMN2RAB9ANPC1NPSR1HTT | |
| SCHEMBL7437545 | 0.87 | PKM (0.54) | SMN1; SMN2RAB9ANPC1NPSR1HTT | |
| SCHEMBL7436782 | 0.84 | RAB9A (0.54) | SMN1; SMN2RAB9ANPC1NPSR1MAPT | |
| SCHEMBL7435039 | 0.82 | SMN1; SMN2 (0.49) | SMN1; SMN2RAB9ANPC1NPSR1HTT | |
| SCHEMBL17109067 | 0.82 | SMN1; SMN2 (0.69) | SMN1; SMN2RAB9ANPC1NPSR1HTT | |
| SCHEMBL7435504 | 0.81 | RAB9A (0.51) | SMN1; SMN2RAB9ANPC1NPSR1POLB | |
| SCHEMBL7441403 | 0.78 | RAB9A (0.65) | SMN1; SMN2RAB9ANPC1NPSR1MAPT | |
| SCHEMBL7437625 | 0.77 | SMN1; SMN2 (0.55) | SMN1; SMN2RAB9ANPC1NPSR1HTT | |
| SCHEMBL7441789 | 0.77 | CYP19A1 (0.51) | SMN1; SMN2RAB9ANPC1NPSR1HTT | |
| SCHEMBL7433425 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2RAB9ANPC1NPSR1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0417671-A2 | 3,4,5,6-Tetrahydro-2H-1,7,4-Benzodioxazonines as cardiovascular agents | BERLEX LABORATORIES, INC. (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4966967-A | 3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonines as cardiovascular agents | BERLEX LABORATORIES, INC. (US) | 1990-10-30 | — | — | US | disclosed |