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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 12/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | CCR7 | P32248 | 2/20 | 0.46 |
| ▸ | CCNK | O75909 | 1/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL1033312 | 0.91 | MAPK1 (0.53) | CCR6HRH4HRH3MAPK1SCN9A | |
| SCHEMBL1033310 | 0.91 | MAPK1 (0.53) | CCR6HRH4HRH3MAPK1SCN9A | |
| SCHEMBL6573805 | 0.91 | MAPK1 (0.53) | CCR6HRH4HRH3MAPK1SCN9A | |
| SCHEMBL20145185 | 0.84 | IL1B (0.53) | CCR6CCNKCDK2CDK12MAPK1 | |
| SCHEMBL3328240 | 0.83 | MAPK1 (0.63) | CCR6CCR7CCNKCCNA2CDK2 | |
| Hydrochloric Acid SCHEMBL381811 | 0.82 | MAPK1 (0.62) | CCR6CCR7MAPK1SYK | |
| Hydrochloric Acid SCHEMBL30284852 | 0.82 | MAPK1 (0.62) | CCR6CCR7MAPK1SYK | |
| Hydrochloric Acid SCHEMBL2418145 | 0.82 | MAPK1 (0.62) | CCR6CCR7MAPK1SYK | |
| Mandelic Acid SCHEMBL6575093 | 0.82 | CCR6 (0.46) | CCR6HRH4HRH3MAPK1SCN9A | |
| SCHEMBL17741141 | 0.80 | CCR6 (0.48) | NPY5RCCR6MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392690-A2 | NOVEL PROCESSES FOR THE PREPARATION OF ADENOSINE COMPOUNDS AND INTERMEDIATES THERETO | Aventis Pharma Deutschland GmbH (DE) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002091988-A2 | NOVEL PROCESSES FOR THE PREPARATION OF ADENOSINE COMPOUNDS AND INTERMEDIATES THERETO | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-11-21 | — | — | WO | disclosed |