Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Oxamate. 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 | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.75 |
| ▸ | LDHB | P07195 | 1/20 | 0.75 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.58 |
| ▸ | LCK | P06239 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | TAS2R38 | P59533 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27803443 | 0.87 | FFAR3 (0.64) | LDHALDHBFFAR3LCKFYN | |
| Acetic Acid SCHEMBL28386819 | 0.87 | FFAR3 (0.64) | LDHALDHBFFAR3LCKFYN | |
| Oxamate SCHEMBL2109206 | 0.87 | LDHA (1.00) | LDHALDHBFFAR3LCKFYN | |
| Oxamate SCHEMBL11620 | 0.87 | — | — | |
| Oxamate SCHEMBL1258135 | 0.82 | — | — | |
| Oxamate SCHEMBL7757988 | 0.82 | LDHA (0.90) | LDHALDHBFFAR3LCKFYN | |
| Acetic Acid SCHEMBL1715034 | 0.82 | — | — | |
| Oxamate SCHEMBL2541414 | 0.82 | — | — | |
| Oxamate SCHEMBL4394181 | 0.82 | — | — | |
| Oxamate SCHEMBL2558688 | 0.82 | — | — |
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-0815111-B1 | ANALOGUES OF N-ACETYLARDEEMIN, METHOD OF PREPARATION AND USES THEREOF | UNIV COLUMBIA (US) | 2007-10-10 | — | — | EP | disclosed |
| US-6147076-A | ANTICANCER AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2000-11-14 | — | — | US | disclosed |