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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.48 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.48 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 6/20 | 0.43 |
| ▸ | CTSK | P43235 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14591587 | 0.89 | ALDH1A1 (0.51) | ALDH1A1LMNACA2CA1PPARG | |
| SCHEMBL7147567 | 0.88 | ALDH1A1 (0.50) | ALDH1A1LMNACA2CA1PPARG | |
| SCHEMBL5347323 | 0.84 | PPARG (0.56) | ALDH1A1LMNACA2PPARGPPARA | |
| SCHEMBL5347327 | 0.84 | PPARG (0.56) | ALDH1A1LMNACA2PPARGPPARA | |
| SCHEMBL5356158 | 0.83 | ALDH1A1 (0.53) | ALDH1A1LMNACA2CA1PPARG | |
| SCHEMBL5363519 | 0.83 | ALDH1A1 (0.53) | ALDH1A1LMNACA2CA1PPARG | |
| SCHEMBL5353573 | 0.83 | PPARG (0.69) | ALDH1A1LMNAPPARGPPARACACNA1B | |
| SCHEMBL7112248 | 0.82 | LMNA (0.51) | ALDH1A1LMNACA2CA1PPARG | |
| SCHEMBL14591582 | 0.82 | PPARG (0.59) | ALDH1A1LMNAPPARGPPARACACNA1B | |
| SCHEMBL5350143 | 0.81 | CACNA1B (0.51) | ALDH1A1LMNACA2CA1PPARG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030013725-A1 | Amino acid derivatives | ONO PHARMACEUTICAL CO., LTD. | 2003-01-16 | — | — | US | disclosed |
| EP-0997147-A1 | AMINO ACID DERIVATIVES | Ono Pharmaceutical Co., Ltd. (JP) | 2000-05-03 | — | — | 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 (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-20030013725-A1 | Amino acid derivatives | CACNA1B, SCN1A, SCN2A | CA2 95/4885CA1 381/4885PPARG 4040/4885 |
“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.