Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of E1501. 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 | 6/20 | 0.81 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.51 |
| ▸ | IDH1 | O75874 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| E1501 SCHEMBL6403243 | 0.98 | ALDH1A1 (0.85) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL18954294 | 0.92 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL28201296 | 0.90 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL901210 | 0.90 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL14031569 | 0.90 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL43745 | 0.90 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL9800714 | 0.89 | ALDH1A1 (0.88) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL4650267 | 0.89 | ALDH1A1 (0.88) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL1256238 | 0.88 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 | |
| E1501 SCHEMBL183528 | 0.88 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1MAPK1L3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817612-A | MIXTURE WITH WATER, BENZYL ALCOHOL AND FORMIC ACID | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1998-10-06 | — | — | US | disclosed |
| US-5542986-A | USING AROMATIC ESTER-CONTAINING SOLVENT SYSTEM | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1996-08-06 | — | — | US | disclosed |
| US-5487789-A | APPLYING BENZYL OR FURFURYL ALCOHOL WITH PYRROLE AS COSOLVENT AND AT LEAST ONE ORGANIC AMINE COMPOUND AS AN ACTIVATOR | MCGEAN-ROHCO, INC. (US) | 1996-01-30 | — | — | US | disclosed |
| US-5411678-A | Mixture of alcohol solvent, pyrrole, amine activator, and water; nonhazardous | MCGEAN-ROHCO, INC. (US) | 1995-05-02 | — | — | US | disclosed |
| US-5405548-A | Nontoxic | ELF ATOCHEM NORTH AMERICA INC. (US) | 1995-04-11 | — | — | US | disclosed |
| EP-0497130-B1 | Paint strippers | ATOCHEM NORTH AMERICA (US) | 1995-03-29 | — | — | EP | disclosed |
| EP-0497130-A2 | Paint strippers | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1992-08-05 | — | — | EP | disclosed |