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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.50 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 7/20 | 0.56 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | MMP2 | P08253 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 2/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL13277836 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| SCHEMBL6914838 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| Zinc Ion SCHEMBL6915196 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| SCHEMBL6908356 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| Potassium Ion SCHEMBL8717887 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| SCHEMBL313547 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| SCHEMBL8714923 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| SCHEMBL6914699 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| SCHEMBL6915964 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 | |
| SCHEMBL6918764 | 0.94 | CA2 (0.56) | CA2PLCG1CA1MMP2CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744678-A | NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY | NIPPON OIL CO., LTD. (JP) | 1998-04-28 | — | — | US | disclosed |
| EP-0758563-A1 | OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT | NIPPON OIL COMPANY, LTD. (JP) | 1997-02-19 | — | — | EP | disclosed |