Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CRAT | P43155 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29105385 | 0.96 | KDM4E (0.32) | KDM4EMAPTTHRBALOX15NFKB1 | |
| SCHEMBL346041 | 0.78 | KDM4E (0.34) | KDM4EMAPTTHRBALOX15NFKB1 | |
| Potassium Ion SCHEMBL3656408 | 0.77 | TGFBR1 (0.44) | — | |
| SCHEMBL1561700 | 0.77 | TGFBR1 (0.44) | — | |
| SCHEMBL3958639 | 0.77 | KDM4E (0.33) | KDM4EMAPTTHRBALOX15NFKB1 | |
| Lithium Ion SCHEMBL6898224 | 0.73 | TSHR (0.44) | ALDH1A1TSHR | |
| Potassium Ion SCHEMBL3660409 | 0.73 | TSHR (0.44) | ALDH1A1TSHR | |
| SCHEMBL28921028 | 0.70 | FAAH (0.54) | — | |
| SCHEMBL6570577 | 0.69 | PLA2G2C (0.41) | CRAT | |
| SCHEMBL28570547 | 0.67 | FDPS (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9956189-B2 | Material and methods for treating developmental disorders including comorbid and idiopathic autism | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2018-05-01 | — | — | US | claimed |
| US-20160303057-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2016-10-20 | — | — | US | claimed |
| US-9463172-B2 | Material and methods for treating developmental disorders including comorbid and idiopathic autism | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2016-10-11 | — | — | US | claimed |
| EP-2395990-B1 | Material and methods for treating developmental disorders including comorbid and idiopathic autism | UNIV INDIANA RES & TECH CORP (US) | 2015-01-07 | — | — | EP | claimed |
| US-20120016036-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2012-01-19 | — | — | US | claimed |
| WO-2010093859-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2010-08-19 | — | — | WO | claimed |
| US-9956189-B2 | Material and methods for treating developmental disorders including comorbid and idiopathic autism | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2018-05-01 | — | — | US | disclosed |
| US-20160303057-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2016-10-20 | — | — | US | disclosed |
| US-9463172-B2 | Material and methods for treating developmental disorders including comorbid and idiopathic autism | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2016-10-11 | — | — | US | disclosed |
| EP-2395990-B1 | Material and methods for treating developmental disorders including comorbid and idiopathic autism | UNIV INDIANA RES & TECH CORP (US) | 2015-01-07 | — | — | EP | disclosed |
| US-20120016036-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2010093859-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) | 2010-08-19 | — | — | 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 (2 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-20120016036-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | GRIN3A, GRIK3, INA | PTGS2 2632/4885KDM4E 3216/4885MAPT 624/4885 |
| US-20160303057-A1 | MATERIAL AND METHODS FOR TREATING DEVELOPMENTAL DISORDERS INCLUDING COMORBID AND IDIOPATHIC AUTISM | GRIN3A, GRIK3, INA | PTGS2 2632/4885KDM4E 3216/4885MAPT 624/4885 |
“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.