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 | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.54 |
| ▸ | RORC | P51449 | 6/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 1/20 | 0.33 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754641 | 0.91 | SLC2A1 (0.45) | SLC2A1RORCNPY5RMAPTLMNA | |
| SCHEMBL9843455 | 0.89 | SLC2A1 (0.56) | SLC2A1RORCMAPTLMNAMEN1 | |
| SCHEMBL9754530 | 0.83 | SLC2A1 (0.48) | SLC2A1NPY5RMAPTLMNAMEN1 | |
| SCHEMBL9843454 | 0.80 | SLC2A1 (0.47) | SLC2A1KDM4EHSD17B10NPSR1 | |
| SCHEMBL9537186 | 0.77 | SLC2A1 (0.42) | SLC2A1RORCNPY5RMAPTLMNA | |
| SCHEMBL9538335 | 0.75 | SLC2A1 (0.46) | SLC2A1RORCNPY5RMAPTLMNA | |
| SCHEMBL9538875 | 0.73 | SLC2A1 (0.67) | SLC2A1 | |
| SCHEMBL9778877 | 0.73 | SLC2A1 (0.79) | SLC2A1 | |
| SCHEMBL9537938 | 0.71 | NPY5R (0.39) | NPY5RMAPTLMNAMEN1KMT2A | |
| SCHEMBL10484205 | 0.71 | SLC2A1 (0.60) | SLC2A1LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991014688-A1 | HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-03 | — | — | WO | disclosed |