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 | |
|---|---|---|---|---|
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.44 |
| ▸ | BRAF known ✓ | P15056 | 1/20 | 0.43 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | MARK3 | P27448 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.45 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.45 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
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 SCHEMBL3279083 | 0.86 | TSHR (0.53) | HIF1ACYP1A2PDPK1LRRK2CDK2 | |
| SCHEMBL29559610 | 0.86 | LMNA (0.57) | PDPK1LRRK2CDK2CHEK1AURKA | |
| SCHEMBL9082 | 0.86 | LMNA (0.57) | PDPK1LRRK2CDK2CHEK1AURKA | |
| Iodomethane SCHEMBL27477608 | 0.84 | LRRK2 (0.52) | HIF1ACYP1A2PDPK1LRRK2CDK2 | |
| SCHEMBL30834859 | 0.84 | LMNA (0.55) | PDPK1LRRK2CDK2CHEK1AURKA | |
| Hydrochloric Acid SCHEMBL11162217 | 0.84 | PI4KA (0.59) | PDPK1LRRK2CDK2CHEK1AURKA | |
| SCHEMBL9798930 | 0.84 | LMNA (0.55) | PDPK1LRRK2CDK2CHEK1AURKA | |
| Water SCHEMBL27775008 | 0.84 | LMNA (0.55) | PDPK1LRRK2CDK2CHEK1AURKA | |
| SCHEMBL8716028 | 0.84 | LMNA (0.55) | PDPK1LRRK2CDK2CHEK1AURKA | |
| Hypoxanthine SCHEMBL11439075 | 0.81 | ALDH1A1 (0.67) | PDPK1LRRK2CDK2CHEK1AURKA |
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 |