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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.80 |
| ▸ | GAA | P10253 | 4/20 | 0.80 |
| ▸ | TSHR | P16473 | 3/20 | 0.80 |
| ▸ | LMNA | P02545 | 2/20 | 0.80 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL38719 | 0.89 | ALDH1A1 (1.00) | ALDH1A1GAATSHRLMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL1592741 | 0.88 | ALDH1A1 (0.96) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL30343310 | 0.88 | ALDH1A1 (0.96) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL25262628 | 0.88 | ALDH1A1 (0.96) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL25307340 | 0.88 | ALDH1A1 (0.96) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL25308455 | 0.88 | ALDH1A1 (0.96) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL8843607 | 0.86 | ALDH1A1 (0.58) | ALDH1A1GAATSHRLMNAMAPK1 | |
| Boric Acid SCHEMBL9665661 | 0.84 | ALDH1A1 (0.89) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL11636500 | 0.84 | ALDH1A1 (0.89) | ALDH1A1GAATSHRLMNAMAPK1 | |
| SCHEMBL9345626 | 0.83 | ALDH1A1 (0.86) | ALDH1A1GAATSHRLMNAMAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5552439-A | AMINOPHENOL DERIVATIVES | ELI LILLY AND COMPANY (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0680755-A1 | Method for treating inflammation, ischemia-induced cell damage and muscular dystrophy | ELI LILLY AND COMPANY (US) | 1995-11-08 | — | — | EP | disclosed |
| EP-0474403-B1 | Method of treating inflammatory bowel disease | LILLY CO ELI (US) | 1995-05-10 | — | — | EP | disclosed |
| US-5393786-A | Administering certain phenolic compounds | ELI LILLY AND COMPANY (US) | 1995-02-28 | — | — | US | disclosed |
| US-5281623-A | Administering amino substituted phenolic derivatives as antiinflammatory or antiarthritic agents | ELI LILLY AND COMPANY (US) | 1994-01-25 | — | — | US | disclosed |
| US-5280046-A | Using an amide containing phenol compound | THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) | 1994-01-18 | — | — | US | disclosed |
| EP-0500336-A1 | Composition containing certain phenol and benzamide for the treatment of type I diabetes | UNIVERSITY OF COLORADO FOUNDATION, INC. (US) | 1992-08-26 | — | — | EP | disclosed |
| EP-0476846-A2 | Method for treating imflammation, ischemia-induced cell damage and muscular dystrophy | ELI LILLY AND COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| EP-0474403-A1 | Method of treating inflammatory bowel disease | ELI LILLY AND COMPANY (US) | 1992-03-11 | — | — | EP | disclosed |