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 | 3/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11951547 | 0.81 | L3MBTL1 (0.55) | LMNAPTGS1TRPA1CACNA1CTDP1 | |
| SCHEMBL11951560 | 0.79 | LMNA (0.44) | LMNAPTGS1TRPA1CACNA1CTDP1 | |
| SCHEMBL4629169 | 0.79 | PDIA6 (0.49) | LMNAPTGS1TRPA1CACNA1CBCHE | |
| SCHEMBL7031392 | 0.78 | PTGS1 (0.46) | LMNAPTGS1TRPA1CACNA1CTDP1 | |
| SCHEMBL11323820 | 0.78 | FABP3 (0.43) | LMNABCHEACHEALDH1A1KDM4E | |
| SCHEMBL11951553 | 0.78 | LMNA (0.42) | LMNAPTGS1TRPA1CACNA1CBCHE | |
| SCHEMBL11951558 | 0.76 | ALDH1A1 (0.41) | LMNAPTGS1TRPA1CACNA1CBCHE | |
| SCHEMBL15801261 | 0.76 | LMNA (0.47) | LMNAPTGS1TRPA1CACNA1CTDP1 | |
| SCHEMBL358506 | 0.76 | LMNA (0.47) | LMNATDP1ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL11951570 | 0.75 | ATM (0.42) | LMNAPTGS1TRPA1CACNA1CTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001064054-A9 | METHOD FOR HARDENING GRANULAR INORGANIC SALT COMPOUNDS | LOBECO PRODUCTS INC (US) | 2003-01-03 | — | — | WO | disclosed |
| US-6365120-B1 | HARDENING USING A NAPHTHALENESULFONATE SALT AND AMMONIUM SULFATE | LOBECO PRODUCTS, INC. | 2002-04-02 | — | — | US | disclosed |
| WO-2001064054-A1 | METHOD FOR HARDENING GRANULAR INORGANIC SALT COMPOUNDS | LOBECO PRODUCTS, INC. (US) | 2001-09-07 | — | — | WO | disclosed |