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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.35 |
| ▸ | HMGCR known ✓ | P04035 | 2/20 | 0.35 |
| ▸ | TYR | P14679 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL191427 | 0.84 | EGFR (0.38) | TYRALOX5EGFRPTGS2HMGCR | |
| SCHEMBL10039964 | 0.84 | ALOX5 (0.38) | TYRALOX5EGFRPTGS2HMGCR | |
| SCHEMBL28177157 | 0.82 | HMGCR (0.38) | TYRALOX5EGFRPTGS2HMGCR | |
| SCHEMBL17510123 | 0.81 | ALOX5 (0.38) | TYRALOX5EGFRPTGS2MAOA | |
| SCHEMBL17260581 | 0.81 | HMGCR (0.37) | HMGCRNR1I2POLBMEN1KMT2A | |
| SCHEMBL17260595 | 0.78 | HMGCR (0.37) | HMGCRNR1I2POLBMEN1KMT2A | |
| SCHEMBL9502006 | 0.77 | ENPP2 (0.51) | TYRALOX5EGFRPTGS2MAOA | |
| SCHEMBL17865610 | 0.77 | ALOX5 (0.40) | TYRALOX5EGFRPTGS2HMGCR | |
| SCHEMBL10982120 | 0.77 | ALOX5 (0.42) | TYRALOX5EGFRPTGS2MAOA | |
| SCHEMBL7157597 | 0.76 | CYP3A4 (0.37) | ALOX5EGFRPTGS2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0231150-B1 | ESTERIFICATION PROCESS USING A CALCIUM (HYDROXY BENZYL PHOSPHONATE) CATALYST | CIBA-GEIGY AG (CH) | 1991-11-27 | — | — | EP | claimed |
| EP-0231150-B1 | ESTERIFICATION PROCESS USING A CALCIUM (HYDROXY BENZYL PHOSPHONATE) CATALYST | CIBA-GEIGY AG (CH) | 1991-11-27 | — | — | EP | disclosed |
| EP-0231150-A2 | Esterification process using a calcium (hydroxy benzyl phosphonate) catalyst | CIBA-GEIGY AG (CH) | 1987-08-05 | — | — | EP | disclosed |