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 | 5/20 | 0.49 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.32 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.32 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9779319 | 0.94 | SLC2A1 (0.41) | SLC2A1MMP13MMP2NPBWR1KMT2A | |
| SCHEMBL9779056 | 0.90 | SLC2A1 (0.41) | SLC2A1MMP13MMP2NPY5RNPBWR1 | |
| SCHEMBL10484143 | 0.83 | SLC2A1 (0.50) | SLC2A1MMP13MMP2NPY5RNPBWR1 | |
| SCHEMBL9778848 | 0.82 | SLC2A1 (0.48) | SLC2A1MMP13MMP2NPY5RHIF1A | |
| SCHEMBL9536796 | 0.81 | SLC2A1 (0.47) | SLC2A1MMP13MMP2NPY5RPDCD1 | |
| SCHEMBL10484078 | 0.81 | SLC2A1 (0.50) | SLC2A1MMP13MMP2NPY5RNPBWR1 | |
| SCHEMBL9529107 | 0.80 | PTPN7 (0.45) | SLC2A1MMP13KMT2APDCD1CD274 | |
| Hydrochloric Acid SCHEMBL9526374 | 0.79 | PTPN7 (0.44) | SLC2A1MMP13KMT2APDCD1CD274 | |
| SCHEMBL10548223 | 0.79 | CYP1A2 (0.43) | SLC2A1MMP13MMP2NPBWR1KMT2A | |
| Hydrochloric Acid SCHEMBL10547397 | 0.78 | KMT2A (0.43) | SLC2A1NPBWR1KMT2AMCHR1PDCD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |