Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Diisopropanolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KISS1R | Q969F8 | 2/20 | 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 | |
|---|---|---|---|---|
| Diisopropanolamine SCHEMBL29053431 | 0.92 | CYP2D6 (0.42) | CYP2D6CYP2C19ALDH1A1CYP1A2TP53 | |
| Diisopropanolamine SCHEMBL11598036 | 0.86 | CYP2D6 (0.39) | CYP2D6CYP2C19ALDH1A1CYP1A2TP53 | |
| Diisopropanolamine SCHEMBL22774 | 0.85 | — | — | |
| Diisopropanolamine SCHEMBL10618901 | 0.85 | — | — | |
| Acetic Acid SCHEMBL8950923 | 0.84 | ALDH1A1 (0.41) | CYP2D6CYP2C19ALDH1A1CYP1A2KDM4E | |
| Diisopropanolamine SCHEMBL10596897 | 0.82 | CYP2D6 (0.36) | CYP2D6CYP2C19ALDH1A1CYP1A2TP53 | |
| Diisopropanolamine SCHEMBL6858463 | 0.82 | TSHR (0.41) | CYP2D6CYP2C19ALDH1A1CYP1A2KDM4E | |
| Diisopropanolamine SCHEMBL3362609 | 0.82 | ALDH1A1 (0.43) | CYP2D6CYP2C19ALDH1A1CYP1A2KDM4E | |
| Diisopropanolamine SCHEMBL7592152 | 0.82 | TSHR (0.41) | CYP2D6CYP2C19ALDH1A1CYP1A2KDM4E | |
| Diisopropanolamine SCHEMBL28590399 | 0.82 | TSHR (0.41) | CYP2D6CYP2C19ALDH1A1CYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5585391-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions, compositions employing these agents, therapeutic methods for using such agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-12-17 | — | — | US | disclosed |
| US-5574050-A | Hydroxyl ions as unique therapeutic agents and processes for preparing them | FHJ SCIENTIFIC, INC. (US) | 1996-11-12 | — | — | US | disclosed |
| US-5514808-A | Hydroxyl ions as unique therapeutic agents and compounds that modulate these ions | FHJ SCIENTIFIC, INC (US) | 1996-05-07 | — | — | US | disclosed |