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 | 1/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.34 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL3337612 | 0.97 | CA9 (0.38) | CA9CA12HDAC3HDAC4HDAC1 | |
| Potassium Ion SCHEMBL3277551 | 0.97 | CA9 (0.38) | CA9CA12HDAC3HDAC4HDAC1 | |
| Zinc Ion SCHEMBL2577648 | 0.96 | CA9 (0.37) | CA9CA12HDAC3HDAC4HDAC1 | |
| SCHEMBL2577651 | 0.86 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3277552 | 0.84 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3278907 | 0.84 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3338583 | 0.84 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3276879 | 0.80 | HDAC3 (0.36) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2580669 | 0.79 | FAAH (0.42) | MAPTHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3276632 | 0.79 | HDAC3 (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100152288-A1 | NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF | SENJU PHARMACEUTICAL CO. LTD. (JP) | 2010-06-17 | — | — | US | disclosed |
| US-7700080-B2 | Method of suppressing melanin production by metal chelates of lipoyl amino acid derivatives | SENJU PHARMACEUTICAL CO., LTD. (JP) | 2010-04-20 | — | — | US | disclosed |
| EP-1371640-B1 | NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF | SENJU PHARMA CO (JP) | 2009-10-28 | — | — | EP | disclosed |
| US-20040092586-A1 | Novel a-lipoic acid derivative and use thereof | SENJU PHARMACEUTICAL CO., LTD. (JP) | 2004-05-13 | — | — | US | disclosed |
| EP-1371640-A1 | NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF | Senju Pharmaceutical Co., Ltd. (JP) | 2003-12-17 | — | — | EP | 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-20100152288-A1 | NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF | TYR, SERPINB1, LPO | CA12 1916/4885CA1 2466/4885CA2 931/4885 |
| US-20040092586-A1 | Novel a-lipoic acid derivative and use thereof | TYR, SERPINB1, LPO | CA12 2340/4885CA1 2109/4885CA2 929/4885 |
“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.