Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Diethanolamine. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.42 |
| ▸ | CA2 | P00918 | 11/20 | 0.42 |
| ▸ | CA9 | Q16790 | 8/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA3 | P07451 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Diethanolamine SCHEMBL927251 | 0.94 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Octadecyl Sulfate SCHEMBL8347193 | 0.94 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL428821 | 0.94 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL97879 | 0.94 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL5083280 | 0.94 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL28174378 | 0.94 | CA1 (0.47) | CA1CA2CA9CA12CA7 | |
| Diethanolamine SCHEMBL29391743 | 0.92 | CA1 (0.46) | CA1CA2CA9CA12CA7 | |
| Ether SCHEMBL10924550 | 0.89 | CA1 (0.48) | CA1CA2CA9CA12CA7 | |
| Ether SCHEMBL22686052 | 0.89 | CA1 (0.48) | CA1CA2CA9CA12CA7 | |
| Ether SCHEMBL22686029 | 0.89 | CA1 (0.48) | CA1CA2CA9CA12CA7 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4741782-A | FLY ASH | RESOURCE TECHNOLOGY, INC. (US) | 1988-05-03 | — | — | US | claimed |
| US-4624711-A | FLY ASH, SULFATE SURFACTANT FOAM, HARDENING, PELLETIZATION, AGGLOMERATION, PROMOTERS, POZZOLANA, SILICA FUME DUST, EXTRACTION | RESOURCE TECHNOLOGY, INC. (US) | 1986-11-25 | — | — | US | claimed |
| CN-118139633-A | Probiotic composition for inhibiting fungal proliferation | 莱托生物股份有限公司 | 2024-06-04 | — | — | CN | disclosed |
| CN-117835951-A | Soluble solid articles containing silicone | 宝洁公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-116761578-A | Soluble solid articles containing preservative | 宝洁公司 | 2023-09-15 | — | — | CN | disclosed |
| CN-116033825-A | Soluble solid product containing antibacterial active substance | 宝洁公司 | 2023-04-28 | — | — | CN | disclosed |
| CN-114867834-A | Flexible porous dissolvable solid sheet article with directly added microcapsules and method of making same | 宝洁公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-114845694-A | Transparent compositions with soluble scalp health actives | 宝洁公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-114630648-A | Personal care composition preservative level optimization | 宝洁公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114599338-A | Personal care composition preservative level optimization | 宝洁公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-114423405-A | Personal care compositions comprising an anti-dandruff agent | 宝洁公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-103143031-A | Compositions and methods for treating, preventing and/or ameliorating cancers, the onset of cancers or the symptoms of cancers | UNIV TEXAS | 2013-06-12 | — | — | CN | disclosed |
| CN-1852721-B | Compositions and methods for treating, preventing and/or ameliorating cancer, cancer onset or cancer symptoms | UNIV TEXAS | 2013-03-27 | — | — | CN | disclosed |
| CN-1852721-A | Compositions and methods for treating, preventing and/or ameliorating cancer, cancer onset or cancer symptoms | UNIV TEXAS (US) | 2006-10-25 | — | — | CN | disclosed |
| CN-1275902-A | Hair care compositions comprising optical brighteners and non-volatile solvents | PROCTER & GAMBLE (US) | 2000-12-06 | — | — | CN | disclosed |
| US-4741782-A | FLY ASH | RESOURCE TECHNOLOGY, INC. (US) | 1988-05-03 | — | — | US | disclosed |
| US-4624711-A | FLY ASH, SULFATE SURFACTANT FOAM, HARDENING, PELLETIZATION, AGGLOMERATION, PROMOTERS, POZZOLANA, SILICA FUME DUST, EXTRACTION | RESOURCE TECHNOLOGY, INC. (US) | 1986-11-25 | — | — | US | disclosed |