Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenetole. 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 | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.65 |
| ▸ | NQO1 | P15559 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Phenetole SCHEMBL29242129 | 1.00 | LTA4H (0.65) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL27718346 | 0.98 | LTA4H (0.63) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL27502814 | 0.98 | LTA4H (0.63) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL28236081 | 0.98 | LTA4H (0.63) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL27782769 | 0.98 | LTA4H (0.63) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL28201837 | 0.91 | LTA4H (0.61) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL28029045 | 0.91 | LTA4H (0.65) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL28364557 | 0.91 | LTA4H (0.77) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL27591923 | 0.90 | LTA4H (0.55) | LTA4HNQO1L3MBTL1LMNAMAPK1 | |
| Phenetole SCHEMBL28236083 | 0.90 | LTA4H (0.59) | LTA4HNQO1L3MBTL1LMNAMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0883405-A4 | AMIDINO PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 1999-04-28 | — | — | EP | disclosed |
| EP-0883405-A1 | AMIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997024135-A1 | AMIDINO PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1997-07-10 | — | — | WO | disclosed |