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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.38 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 11/20 | 0.45 |
| ▸ | GCK | P35557 | 1/20 | 0.43 |
| ▸ | GCKR | Q14397 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | PRF1 | P14222 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14569177 | 0.82 | KIF11 (0.46) | KIF11GCKGCKRCA1CA2 | |
| SCHEMBL5726849 | 0.82 | GCK (0.44) | KIF11GCKGCKRCA1CA2 | |
| SCHEMBL7347511 | 0.82 | KIF11 (0.42) | KIF11GCKGCKRCA1CA2 | |
| SCHEMBL3253299 | 0.82 | KIF11 (0.42) | KIF11GCKGCKRCA1CA2 | |
| SCHEMBL6234020 | 0.82 | CA1 (0.58) | KIF11GCKGCKRCA1CA2 | |
| SCHEMBL7055780 | 0.81 | GCK (0.43) | KIF11GCKGCKRCA1CA2 | |
| SCHEMBL7054818 | 0.78 | MEN1 (0.47) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL14705447 | 0.76 | KIF11 (0.52) | KIF11PRF1 | |
| SCHEMBL27961778 | 0.76 | KIF11 (0.52) | KIF11PRF1 | |
| SCHEMBL6963678 | 0.76 | CA12 (0.41) | KIF11GCKGCKRCA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030060473-A1 | Piperazine compounds as inhibitors of MMP or TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-27 | — | — | US | disclosed |
| US-6489324-B2 | TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-12-03 | — | — | US | disclosed |
| US-20020128270-A1 | Piperazine compounds as inhibitors of MMP or TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-09-12 | — | — | US | disclosed |
| US-6333324-B1 | FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-12-25 | — | — | US | disclosed |
| EP-0948489-A1 | PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998027069-A1 | PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-25 | — | — | 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-20020128270-A1 | Piperazine compounds as inhibitors of MMP or TNF | MMP1, MMP2, TNF | CA1 1582/4885CA2 1786/4885CA12 3001/4885 |
| US-20030060473-A1 | Piperazine compounds as inhibitors of MMP or TNF | MMP2, MMP1, TNF | CA1 1800/4885CA2 1488/4885CA12 2616/4885 |
“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.