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 | |
|---|---|---|---|---|
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.33 |
| ▸ | HPGD | P15428 | 7/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754534 | 0.95 | ALKBH5 (0.35) | SLC2A1HSP90AA1IDO1KDM4EHPGD | |
| SCHEMBL9843510 | 0.91 | SLC2A1 (0.34) | SLC2A1HSP90AA1IDO1KDM4EHPGD | |
| SCHEMBL9843455 | 0.75 | SLC2A1 (0.56) | SLC2A1KDM4EHPGDHSD17B10NPSR1 | |
| SCHEMBL9779073 | 0.75 | SLC2A1 (0.43) | SLC2A1HSP90AA1IDO1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL9779120 | 0.74 | SLC2A1 (0.43) | SLC2A1HSP90AA1IDO1KDM4EHPGD | |
| SCHEMBL9525894 | 0.73 | SLC2A1 (0.42) | SLC2A1KMT2A | |
| Hydrochloric Acid SCHEMBL9526275 | 0.72 | SLC2A1 (0.41) | SLC2A1KMT2A | |
| SCHEMBL9537093 | 0.70 | SLC2A1 (0.51) | SLC2A1KDM4ENPSR1MAPTSMN1; SMN2 | |
| SCHEMBL9754468 | 0.69 | SLC2A1 (0.37) | SLC2A1NPSR1MAPTALDH1A1RXFP1 | |
| SCHEMBL9754530 | 0.69 | SLC2A1 (0.48) | SLC2A1KDM4EHPGDHSD17B10NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0447703-A1 | Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-25 | — | — | EP | disclosed |