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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.53 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.53 |
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.48 |
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.48 |
| ▸ | PDK3 known ✓ | Q15120 | 1/20 | 0.48 |
| ▸ | PDK4 known ✓ | Q16654 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 5/20 | 0.58 |
| ▸ | CTSS | P25774 | 3/20 | 0.53 |
| ▸ | CTSK | P43235 | 3/20 | 0.53 |
| ▸ | CTSB | P07858 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.51 |
| ▸ | HPGDS | O60760 | 1/20 | 0.51 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4359083 | 0.96 | CTSL (0.63) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL11583745 | 0.94 | CTSL (0.63) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL11582103 | 0.90 | CTSL (0.54) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL11582099 | 0.90 | CTSL (0.54) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL4369314 | 0.89 | CTSL (0.58) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL4364597 | 0.87 | PTPN1 (0.64) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL4363531 | 0.85 | CTSL (0.57) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL28760302 | 0.84 | CTSL (0.67) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL4369236 | 0.84 | CTSL (0.67) | CTSLCTSSCTSKCA2CA1 | |
| SCHEMBL13669589 | 0.84 | CTSL (0.67) | CTSLCTSSCTSKCA2CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090247470-A1 | PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF | The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) | 2009-10-01 | — | — | US | claimed |
| US-9023809-B2 | Phenylalanine dipeptide derivatives, compositions and use thereof | THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) | 2015-05-05 | — | — | US | disclosed |
| US-20090247470-A1 | PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF | The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) | 2009-10-01 | — | — | 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-20090247470-A1 | PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF | DNPEP, PEPD, VIP | CA2 4136/4885CA1 3382/4885PDK1 1839/4885 |
“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.