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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 7/20 | 0.34 |
| ▸ | MMP7 known ✓ | P09237 | 5/20 | 0.34 |
| ▸ | MMP13 known ✓ | P45452 | 5/20 | 0.34 |
| ▸ | MMP12 | P39900 | 5/20 | 0.34 |
| ▸ | ACE | P12821 | 3/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP3 | P08254 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9514472 | 0.96 | MMP1 (0.34) | MMP1MMP7MMP12MMP13ACE | |
| SCHEMBL7108851 | 0.93 | MMP1 (0.33) | MMP1MMP7MMP12MMP13ACE | |
| SCHEMBL15825362 | 0.82 | TSHR (0.36) | MMP1MMP7MMP12MMP13ACE | |
| SCHEMBL11652838 | 0.81 | TSHR (0.34) | MMP1MMP7MMP12MMP13ACE | |
| SCHEMBL88231 | 0.79 | TP53 (0.37) | MMP1MMP7MMP12MMP13ACE | |
| SCHEMBL8458904 | 0.79 | MMP1 (0.35) | MMP1MMP7MMP12MMP13ACE | |
| SCHEMBL3365927 | 0.79 | CA2 (0.36) | TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL368530 | 0.79 | TSHR (0.33) | MMP1MMP7MMP12MMP13ACE | |
| Ammonia Solution, Strong SCHEMBL1646990 | 0.78 | TP53 (0.36) | MMP1MMP7MMP12MMP13ACE | |
| SCHEMBL3318223 | 0.75 | CA2 (0.37) | TSHRALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0317433-B1 | Pesticide composition | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1995-12-27 | — | — | EP | claimed |
| EP-0862545-B1 | PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF | AGRO CHEMIE NOEVENYVEDOESZER G (HU) | 2003-06-04 | — | — | EP | disclosed |
| US-6277867-B1 | SYNERGISTIC MIXTURES | CHINOIN GYOGYSZER ES VEGYESZETI (HU) | 2001-08-21 | — | — | US | disclosed |
| WO-1998051652-A1 | PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF | CHINOIN GYÓGYSZER ÉS VEGYÉSZETI (HU) | 1998-11-19 | — | — | WO | disclosed |
| EP-0862545-A2 | PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF | CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997019040-A9 | PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF | — | 1997-08-07 | — | — | WO | disclosed |
| WO-1997019040-A2 | PESTICIDE COMPOUNDS, COMPOSITIONS AND PROCESS FOR THE PREPARATION THEREOF | Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) | 1997-05-29 | — | — | WO | disclosed |
| US-4980346-A | N-ALKYL(ENE)-N-(O,O-DISUBSTITUTED-THIOPHOSPHORYL)-N',N' -SUBSTITUTED GLYCINE AMIDE DERIVATIVES | ESZAKMAGYARORSUAGI VEGYIMUVEK (HU) | 1990-12-25 | — | — | US | disclosed |