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 | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 8/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 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 | |
|---|---|---|---|---|
| SCHEMBL10484244 | 0.94 | SLC2A1 (0.42) | SLC2A1ALDH1A1CYP1A2THRBHSD17B10 | |
| SCHEMBL10492815 | 0.89 | SLC2A1 (0.42) | SLC2A1ALDH1A1CYP1A2THRBHSD17B10 | |
| SCHEMBL9465872 | 0.83 | SLC2A1 (0.56) | SLC2A1ALDH1A1CYP1A2THRBHSD17B10 | |
| SCHEMBL10484379 | 0.82 | SLC2A1 (0.49) | SLC2A1ALDH1A1CYP1A2THRBHSD17B10 | |
| SCHEMBL10561762 | 0.80 | SLC2A1 (0.52) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10647868 | 0.80 | SLC2A1 (0.54) | SLC2A1ALDH1A1CYP1A2HPGDKMT2A | |
| SCHEMBL10488653 | 0.79 | SLC2A1 (0.50) | SLC2A1ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10682413 | 0.79 | SLC2A1 (0.54) | SLC2A1KMT2AF2PRSS1PRSS2 | |
| SCHEMBL10488878 | 0.78 | SLC2A1 (0.46) | SLC2A1CYP1A2NPBWR1KMT2AMCHR1 | |
| SCHEMBL10488369 | 0.78 | SLC2A1 (0.46) | SLC2A1ALDH1A1CYP1A2HSD17B10NPBWR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182609-B1 | POLYCYCLIC BIOCIDAL COMPOUNDS, THEIR SYNTHESIS, FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-05-09 | — | — | EP | disclosed |
| US-4818443-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-04-04 | — | — | US | disclosed |
| EP-0182609-A2 | Polycyclic biocidal compounds, their synthesis, formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-05-28 | — | — | EP | disclosed |