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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.51 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 12/20 | 0.81 |
| ▸ | F13A1 | P00488 | 3/20 | 0.55 |
| ▸ | TGM1 | P22735 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.55 |
| ▸ | ITK | Q08881 | 1/20 | 0.51 |
| ▸ | ACP1 | P24666 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL10783007 | 0.94 | TGM2 (0.85) | TGM2F13A1TGM1LMNATGM3 | |
| SCHEMBL81209 | 0.90 | TGM2 (1.00) | TGM2F13A1TGM1LMNATGM3 | |
| Dimethylamine SCHEMBL1263117 | 0.89 | TGM2 (0.88) | TGM2F13A1TGM1LMNATGM3 | |
| SCHEMBL30211836 | 0.88 | TGM2 (0.96) | TGM2F13A1TGM1LMNATGM3 | |
| SCHEMBL28240522 | 0.88 | TGM2 (0.96) | TGM2F13A1TGM1LMNATGM3 | |
| SCHEMBL1700934 | 0.85 | TGM2 (0.88) | TGM2F13A1TGM1LMNATGM3 | |
| SCHEMBL19501652 | 0.83 | TGM2 (0.85) | TGM2F13A1TGM1LMNATGM3 | |
| SCHEMBL261812 | 0.83 | TGM2 (0.85) | TGM2F13A1TGM1LMNATGM3 | |
| Diethylamine SCHEMBL1262240 | 0.82 | TGM2 (0.76) | TGM2F13A1TGM1LMNATGM3 | |
| Styrene SCHEMBL17534942 | 0.81 | TGM2 (0.81) | TGM2F13A1TGM1LMNATGM3 |
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-3752153-A1 | OSIMERTINIB FOR USE IN THE TREATMENT OF NON-SMALL CELL LUNG CANCER | Astrazeneca AB (SE) | 2020-12-23 | — | — | EP | disclosed |
| WO-2019155059-A1 | OSIMERTINIB FOR USE IN THE TREATMENT OF NON-SMALL CELL LUNG CANCER | ASTRAZENECA AB (SE) | 2019-08-15 | — | — | WO | disclosed |