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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF known ✓ | P15056 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 7/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 6/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 6/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3178035 | 0.97 | MAPK14 (0.46) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL3394275 | 0.89 | MAPK14 (0.49) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL3390254 | 0.87 | MAPK14 (0.49) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL3392553 | 0.86 | MAPK14 (0.37) | MAPK14MAPK13MAPK12MAPK11BRAF | |
| SCHEMBL13528639 | 0.86 | MAPK14 (0.51) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL3170670 | 0.83 | MAPK14 (0.48) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL3392836 | 0.82 | MAPK13 (0.53) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL2951258 | 0.80 | MAPK14 (0.54) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL3392530 | 0.79 | MAPK13 (0.56) | MAPK14MAPK13MAPK12MAPK11PTK2 | |
| SCHEMBL3388798 | 0.79 | MAPK14 (0.48) | MAPK14MAPK13MAPK12MAPK11PTK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1943243-B1 | KINASE INHIBITORS | LILLY CO ELI (US) | 2010-12-29 | — | — | EP | disclosed |