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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.36 |
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.36 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.36 |
| ▸ | P2RY12 known ✓ | Q9H244 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.33 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4101238 | 0.82 | ADRB2 (0.46) | NR1I2LMNATDP1CA2CA9 | |
| SCHEMBL19953365 | 0.79 | LMNA (0.55) | NR1I2LMNATDP1CA2CA9 | |
| SCHEMBL67964 | 0.76 | ALDH1A1 (0.50) | NR1I2LMNATDP1CA2CA9 | |
| Sulfuric Acid SCHEMBL8103454 | 0.74 | ALDH1A1 (0.48) | NR1I2LMNATDP1CA2CA9 | |
| SCHEMBL8406672 | 0.74 | ALDH1A1 (0.48) | NR1I2LMNATDP1CA2CA9 | |
| SCHEMBL1306073 | 0.74 | ALDH1A1 (0.54) | LMNADPP4TDP1CA2CA9 | |
| SCHEMBL17044641 | 0.73 | NR1I2 (0.45) | NR1I2LMNATDP1CA2CA9 | |
| Hydrogen Peroxide SCHEMBL11036237 | 0.73 | LMNA (0.47) | NR1I2LMNATDP1CA2CA9 | |
| SCHEMBL8464838 | 0.73 | NR1I2 (0.45) | NR1I2LMNATDP1CA2CA9 | |
| Sulfuric Acid SCHEMBL10874324 | 0.73 | CA2 (0.46) | LMNADPP4TDP1CA2CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8053592-B2 | Method for producing optically active α-ionone | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-11-08 | — | — | US | disclosed |
| US-20110118500-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| US-7902404-B2 | Method for producing optically active α-ionone | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-03-08 | — | — | US | disclosed |
| US-20090216039-A1 | Method for Producing Optically Active Alpha-Ionone | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-08-27 | — | — | 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 (2 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-20110118500-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE | INF2, HSD17B1, AGL | CA2 2340/4885CA12 4280/4885CA1 3345/4885 |
| US-20090216039-A1 | Method for Producing Optically Active Alpha-Ionone | HSD17B1, ENO1, INF2 | CA2 2400/4885CA12 4395/4885CA1 3402/4885 |
“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.