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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.43 |
| ▸ | CA4 known ✓ | P22748 | 4/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA6 | P23280 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL356866 | 1.00 | — | — | |
| Ethylenediamine SCHEMBL8853631 | 0.98 | MAOA (0.43) | MAOAMAOBCA12CA9CA6 | |
| SCHEMBL5598890 | 0.95 | MAOA (0.45) | MAOAMAOBCA12CA9CA6 | |
| SCHEMBL11113094 | 0.89 | MAOA (0.61) | MAOAMAOBCA12CA9CA6 | |
| Ammonia Solution, Strong SCHEMBL10780673 | 0.89 | CA12 (0.48) | MAOAMAOBCA12CA9CA6 | |
| Edetic Acid SCHEMBL8726325 | 0.84 | ALOX15 (0.48) | MAOAMAOBCA12CA9CA6 | |
| SCHEMBL11677216 | 0.84 | CA4 (0.45) | MAOAMAOBCA12CA9CA6 | |
| SCHEMBL1355989 | 0.84 | CA4 (0.50) | CA12CA9CA4CA2CA1 | |
| SCHEMBL6700396 | 0.83 | CA12 (0.48) | CA12CA9CA6CA7CA14 | |
| Edetic Acid SCHEMBL2112976 | 0.80 | ALOX15 (0.44) | MAOAMAOBCA12CA9CA6 |
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 7 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 |
| US-20070017041-A1 | Colorants for keratin fibres | PROCTER & GAMBLE COMPANY, THE | 2007-01-25 | — | — | US | disclosed |
| EP-1733760-A1 | Colourants for keratin fibres comprising certain cationic cellulose ether derivatives | Wella Aktiengesellschaft (DE) | 2006-12-20 | — | — | EP | disclosed |
| WO-2006099163-A1 | COLOURANTS FOR KERATIN FIBRES COMPRISING CERTAIN CATIONIC CELLULOSE ETHER DERIVATIVES | THE PROCTER & GAMBLE COMPANY (US) | 2006-09-21 | — | — | WO | 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 | CA12 4280/4885CA4 2898/4885CA2 2340/4885 |
| US-20090216039-A1 | Method for Producing Optically Active Alpha-Ionone | HSD17B1, ENO1, INF2 | CA12 4395/4885CA4 3188/4885CA2 2400/4885 |
“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.