Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL5512184 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL31139173 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL16460263 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL1160667 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL5350 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL214962 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL28246842 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL6305540 | 0.97 | GAA (0.56) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Methyl Alcohol SCHEMBL8799286 | 0.97 | GAA (0.56) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL21836188 | 0.97 | GAA (0.56) | GAALMNAALDH1A1SMN1; SMN2TDP1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102918044-A | Fused quinazoline derivatives and uses thereof | SHENZHEN SALUBRIS PHARM CO LTD | 2013-02-06 | — | — | CN | claimed |
| CN-115369250-B | Method for recycling valuable metals in waste lithium ion battery anode materials | 北京化工大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-107879960-B | Lipids and lipid compositions for delivery of active ingredients | 诺华股份有限公司 | 2021-06-22 | — | — | CN | disclosed |
| CN-107879960-A | For transmitting the lipid and lipid composition of active component | 诺华股份有限公司 | 2018-04-06 | — | — | CN | disclosed |
| CN-105164102-B | Lipids and lipid compositions for delivery of active ingredients | 诺华股份有限公司 | 2017-12-15 | — | — | CN | disclosed |
| CN-102918044-A | Fused quinazoline derivatives and uses thereof | SHENZHEN SALUBRIS PHARM CO LTD | 2013-02-06 | — | — | CN | disclosed |
| CN-101522671-A | 5- (1(S) -amino-2-hydroxyethyl) -N- [ (2) | SCHERING CORP (US) | 2009-09-02 | — | — | CN | disclosed |
| EP-2069337-A1 | SALTS OF 5 - ( L ( S ) -AMINO - 2 - HYDROXYETHYL ) -N- Ý ( 2, 4 -DIFLUOROPHENYL) -METHYL¨- 2 - Ý 8 -METHOXY - 2 - (TRIFLUOROMETHYL) - 5 - QUINOLINE¨- 4 - OXAZOLECARBOXAMIDE | SCHERING CORPORATION (US) | 2009-06-17 | — | — | EP | disclosed |
| US-20080108818-A1 | Maleate, tosylate, fumarate and oxalate salts of 5-(1-(S)-amino-2-hydroxyethyl)-N-[(2,4-difluorophenyl)-methy]-2-[8-methoxy-2-(triflouromethy)-5-quinoline]-4-oxazolecarboxamide and preparation process therefore | MERCK SHARP & DOHME CORP. | 2008-05-08 | — | — | US | disclosed |
| WO-2008021271-A1 | SALTS OF 5 - ( L ( S ) -AMINO - 2 - HYDROXYETHYL ) -N- [ ( 2, 4 -DIFLUOROPHENYL) -METHYL] - 2 - [ 8 -METHOXY - 2 - (TRIFLUOROMETHYL) - 5 - QUINOLINE] - 4 - OXAZOLECARBOXAMIDE | SCHERING CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2005051399-A1 | 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS | GLAXO GROUP LIMITED (GB) | 2005-06-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080108818-A1 | Maleate, tosylate, fumarate and oxalate salts of 5-(1-(S)-amino-2-hydroxyethyl)-N-[(2,4-difluorophenyl)-methy]-2-[8-methoxy-2-(triflouromethy)-5-quinoline]-4-oxazolecarboxamide and preparation process therefore | FH, OTC, HOGA1 | GAA 832/4885LMNA 3454/4885ALDH1A1 1173/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.