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 | 0.30 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.30 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | PAK4 | O96013 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL3279080 | 0.88 | CHEK1 (0.36) | CHEK1DPP4NOTUMPARP1FGFR1 | |
| SCHEMBL9081 | 0.87 | CHEK1 (0.42) | CHEK1DPP4SMN1; SMN2TDP1DYRK1A | |
| SCHEMBL30942632 | 0.87 | CHEK1 (0.42) | CHEK1DPP4SMN1; SMN2TDP1DYRK1A | |
| SCHEMBL8716026 | 0.85 | CHEK1 (0.41) | CHEK1DPP4SMN1; SMN2TDP1DYRK1A | |
| SCHEMBL9798919 | 0.85 | CHEK1 (0.41) | CHEK1DPP4SMN1; SMN2TDP1DYRK1A | |
| Hydrochloric Acid SCHEMBL11162213 | 0.85 | CHEK1 (0.41) | CHEK1DPP4SMN1; SMN2TDP1DYRK1A | |
| Trimethylammonium SCHEMBL8826193 | 0.84 | CHEK1 (0.38) | CHEK1DPP4DYRK1AAURKAPRKACA | |
| Hypoxanthine SCHEMBL17924978 | 0.81 | CYP1A2 (0.32) | CYP1A2CYP3A4NFKB1THPOBLM | |
| Adenine SCHEMBL5663794 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP3A4NFKB1THPOBLM | |
| SCHEMBL27830559 | 0.77 | L3MBTL1 (0.35) | TDP1JAK3BTK |
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 |
|---|---|---|---|---|---|---|---|
| US-4405781-A | Method for preparing salts of 6-chloropurine | POLAROID CORPORATION (US) | 1983-09-20 | — | — | US | disclosed |