Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Propanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Propanol SCHEMBL28376464 | 1.00 | CA2 (0.39) | — | |
| Sulfuric Acid SCHEMBL921213 | 0.89 | — | — | |
| Dimethyl Sulfone SCHEMBL8778726 | 0.89 | — | — | |
| Sulfuric Acid SCHEMBL8613107 | 0.86 | CA5A (0.43) | — | |
| Sulfuric Acid SCHEMBL28534862 | 0.86 | CA5A (0.43) | — | |
| Sulfuric Acid SCHEMBL28535717 | 0.86 | CA5A (0.43) | — | |
| Sulfuric Acid SCHEMBL8613115 | 0.86 | CA5A (0.43) | — | |
| Ethylene Glycol SCHEMBL2178632 | 0.85 | CA2 (0.44) | — | |
| Ethylene Glycol SCHEMBL2167120 | 0.85 | CA2 (0.44) | — | |
| Ethylene Glycol SCHEMBL1560560 | 0.85 | CA2 (0.44) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015085482-A1 | EGFR INHIBITOR FORMS | NOVARTIS AG (CH) | 2015-06-18 | — | — | WO | disclosed |
| WO-2015083059-A1 | FORMS OF THE EGFR INHIBITOR | NOVARTIS AG (CH) | 2015-06-11 | — | — | WO | disclosed |
| WO-2015081463-A1 | EGFR INHIBITOR FORMS | NOVARTIS AG (CH) | 2015-06-11 | — | — | WO | disclosed |
| CN-100384836-C | Novel cyclic amide derivative | MITSUBISHI PHARMACEUTICALS INC (JP) | 2008-04-30 | — | — | CN | disclosed |
| CN-1759103-A | Water-soluble phenylpyridazine derivative and medicine containing the same | KOWA CO (JP) | 2006-04-12 | — | — | CN | disclosed |
| CN-1426405-A | Novel cyclic amide derivative | MITSUBISHI PHARMACEUTICALS INC (JP) | 2003-06-25 | — | — | CN | disclosed |
| EP-0907644-A4 | PHARMACEUTICAL PREPARATION | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-0907644-A1 | PHARMACEUTICAL PREPARATION | Merck & Co., Inc. (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1998000405-A1 | PHARMACEUTICAL PREPARATION | MERCK & CO., INC. (US) | 1998-01-08 | — | — | WO | disclosed |
| CN-1141633-A | 4-heterocyclic substituted quinazoline derivatives, process for their preparation and their use as anticancer agents | PFIZER (US) | 1997-01-29 | — | — | CN | disclosed |