Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Dodine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.55 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.53 |
| ▸ | CASP2 | P42575 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | NAAA | Q02083 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.47 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| Dodine SCHEMBL22124 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Acetic Acid SCHEMBL29256286 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Dodine SCHEMBL15994260 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Acetic Acid SCHEMBL9054431 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Acetic Acid SCHEMBL2905199 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Acetic Acid SCHEMBL2905260 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Dodine SCHEMBL9766434 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Acetic Acid SCHEMBL3289314 | 1.00 | EPHX1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Dodine SCHEMBL8365188 | 0.98 | SPHK1 (0.55) | EPHX1SPHK1CASP2FAAHNAAA | |
| Sulfuric Acid SCHEMBL28682864 | 0.95 | ALOX15 (0.51) | EPHX1SPHK1CASP2FAAHNAAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996015107-A1 | DITHIOCARBAMATE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-05-23 | — | — | WO | disclosed |