Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Anisaldehyde. 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 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Anisaldehyde SCHEMBL28783662 | 0.94 | ALDH1A1 (0.61) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL1064748 | 0.86 | ALDH1A1 (0.68) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL8666282 | 0.85 | ALDH1A1 (0.66) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL9090048 | 0.83 | ALDH1A1 (0.79) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL28223592 | 0.81 | ALDH1A1 (0.70) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL6910607 | 0.80 | ALDH1A1 (0.68) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL888255 | 0.79 | ALDH1A1 (0.79) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL15602807 | 0.78 | ALDH1A1 (0.76) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL9718106 | 0.77 | ALDH1A1 (0.63) | ALDH1A1CYP2A6THRBATMGSK3B | |
| Anisaldehyde SCHEMBL14891846 | 0.76 | ALDH1A1 (0.79) | ALDH1A1CYP2A6THRBATMGSK3B |
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-2536712-B1 | OLIGOTHIOPHENE DERIVATE AS MOLECULAR PROBES | CELLUMINOVA AB (SE) | 2015-03-18 | — | — | EP | disclosed |
| EP-2536712-A1 | OLIGOTHIOPHENE DERIVATE AS MOLECULAR PROBES | Celluminova AB (SE) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011102789-A1 | OLIGOTHIOPHENE DERIVATE AS MOLECULAR PROBES | OBOE IPR AB (SE) | 2011-08-25 | — | — | WO | disclosed |