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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 6/20 | 0.41 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL20299534 | 0.96 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| Water SCHEMBL20299523 | 0.96 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| SCHEMBL20299511 | 0.96 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| SCHEMBL29108863 | 0.80 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| SCHEMBL25241826 | 0.79 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| SCHEMBL19858472 | 0.79 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| SCHEMBL20299546 | 0.79 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| SCHEMBL20299555 | 0.79 | HMGCR (0.41) | HMGCRGABRA1GABRB2 | |
| SCHEMBL28520151 | 0.75 | HMGCR (0.38) | HMGCRGABRA1GABRB2 | |
| SCHEMBL27171245 | 0.73 | HMGCR (0.37) | HMGCRGABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3559102-A1 | POLY(BUTYLENE TEREPHTHALATE) COMPOSITION FOR ARTICLES HAVING HIGH DIMENSIONAL STABILITY | SABIC Global Technologies B.V. (NL) | 2019-10-30 | — | — | EP | disclosed |
| WO-2018115293-A1 | POLY(BUTYLENE TEREPHTHALATE) COMPOSITION FOR ARTICLES HAVING HIGH DIMENSIONAL STABILITY | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2018-06-28 | — | — | WO | disclosed |