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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 19/20 | 0.91 |
| ▸ | ABL1 known ✓ | P00519 | 6/20 | 0.91 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.60 |
| ▸ | ABL2 | P42684 | 6/20 | 0.91 |
| ▸ | PRKCA | P17252 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL29795688 | 1.00 | EGFR (0.91) | EGFRABL1ABL2PRKCAKDR | |
| SCHEMBL2463632 | 0.95 | EGFR (1.00) | EGFRABL1ABL2PRKCAKDR | |
| SCHEMBL29406611 | 0.95 | EGFR (1.00) | EGFRABL1ABL2PRKCAKDR | |
| SCHEMBL7494688 | 0.85 | EGFR (0.72) | EGFRABL1ABL2PRKCA | |
| SCHEMBL7498843 | 0.84 | EGFR (0.71) | EGFRABL1ABL2PRKCAKDR | |
| SCHEMBL7491344 | 0.84 | EGFR (0.71) | EGFRABL1ABL2PRKCAKDR | |
| SCHEMBL2461133 | 0.83 | EGFR (1.00) | EGFRABL1ABL2PRKCAKDR | |
| SCHEMBL7495632 | 0.82 | EGFR (0.72) | EGFRABL1ABL2PRKCA | |
| SCHEMBL7494877 | 0.82 | EGFR (0.72) | EGFRABL1ABL2PRKCA | |
| SCHEMBL7491933 | 0.82 | EGFR (0.72) | EGFRABL1ABL2PRKCA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1809354-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |
| CN-1809536-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |
| CN-1809351-A | Inhibitors of Akt activity | MERCK & CO INC (US) | 2006-07-26 | — | — | CN | disclosed |