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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.42 |
| ▸ | BTN3A1 | O00481 | 2/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | OGG1 | O15527 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL728493 | 0.98 | BTN3A1 (0.52) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| SCHEMBL29769247 | 0.98 | BTN3A1 (0.52) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| Silver SCHEMBL11322824 | 0.96 | BTN3A1 (0.51) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| SCHEMBL9318274 | 0.96 | BTN3A1 (0.51) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| SCHEMBL8657077 | 0.96 | BTN3A1 (0.51) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| Water SCHEMBL12002468 | 0.96 | BTN3A1 (0.51) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| SCHEMBL11322830 | 0.96 | BTN3A1 (0.51) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| SCHEMBL11673198 | 0.89 | GPR84 (0.64) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| SCHEMBL29370194 | 0.85 | BTN3A1 (0.52) | BTN3A1GPR84HTTALDH1A1KDM4E | |
| SCHEMBL8883201 | 0.85 | BTN3A1 (0.52) | BTN3A1GPR84HTTALDH1A1KDM4E |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765483-B2 | Explosives detection substrate and methods of using the same | UNIVERSITY OF CONNECTICUT (US) | 2014-07-01 | — | — | US | claimed |
| US-20160030321-A1 | CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS | NEOCUITIS S A (CH) | 2016-02-04 | — | — | US | disclosed |
| US-8765483-B2 | Explosives detection substrate and methods of using the same | UNIVERSITY OF CONNECTICUT (US) | 2014-07-01 | — | — | US | disclosed |
| US-20120282705-A1 | Explosives Detection Substrate and Methods of Using the Same | UNIVERSITY OF CONNECTICUT (US) | 2012-11-08 | — | — | US | disclosed |
| US-7772009-B2 | Room temperature phosphorescence apparatus and methods | SCR Research, LLC (US) | 2010-08-10 | — | — | US | disclosed |
| WO-2007061574-A2 | ROOM TEMPERATURE PHOSPHORESCENCE APPARATUS AND METHODS | SCA RESEARCH, LLC (US) | 2007-05-31 | — | — | WO | disclosed |
| US-20070117215-A1 | Room temperature phosphorescence apparatus and methods | POLYMER CONCEPTS TECHNOLOGIES PBY, INC. | 2007-05-24 | — | — | US | 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-20160030321-A1 | CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS | S100A4, TYR, CACYBP | PTGS1 621/4885BTN3A1 1576/4885GPR84 2578/4885 |
“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.