Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 13/20 | 0.69 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.59 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.59 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.68 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.59 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.59 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.59 |
| ▸ | RXRA | P19793 | 1/20 | 0.59 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.59 |
| ▸ | CCKAR | P32238 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL5731945 | 1.00 | HMGCR (0.69) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL5731496 | 0.96 | CYP2C9 (0.66) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL5731536 | 0.94 | CYP2C9 (0.69) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL5732231 | 0.93 | HMGCR (0.72) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL6493664 | 0.93 | HMGCR (0.67) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL5730851 | 0.93 | HMGCR (0.67) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL6493662 | 0.93 | HMGCR (0.67) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL5730850 | 0.93 | HMGCR (0.67) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL5731950 | 0.92 | HMGCR (0.66) | HMGCRCYP2C9KDM4EALDH1A1LMNA | |
| SCHEMBL5731942 | 0.92 | HMGCR (0.66) | HMGCRCYP2C9KDM4EALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050154042-A1 | N-alkyl pyrroles as HMG-CoA reductase inhibitors | WARNER-LAMBERT COMPANY | 2005-07-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050154042-A1 | N-alkyl pyrroles as HMG-CoA reductase inhibitors | HMGCR, DHCR7, CYP11A1 | HMGCR 1/4885ADORA3 4316/4885PTGS2 456/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.