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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLG | P00747 | 8/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 8/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 8/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 8/20 | 0.49 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.47 |
| ▸ | CHRNG | P07510 | 4/20 | 0.47 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.47 |
| ▸ | CHRND | Q07001 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8310237 | 0.90 | PLG (0.50) | PLGPRSS1PRSS2PRSS3CHRNA1 | |
| SCHEMBL8875880 | 0.90 | PLG (0.51) | PLGPRSS1PRSS2PRSS3L3MBTL1 | |
| SCHEMBL7356530 | 0.89 | L3MBTL1 (0.46) | PLGPRSS1PRSS2PRSS3CHRNA1 | |
| SCHEMBL7362768 | 0.88 | GAA (0.47) | PLGPRSS1PRSS2PRSS3CHRNA1 | |
| SCHEMBL7362788 | 0.85 | MMP8 (0.48) | L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7402356 | 0.85 | PLG (0.49) | PLGPRSS1PRSS2PRSS3CHRNA1 | |
| SCHEMBL7356791 | 0.84 | GRIA1 (0.47) | CHRNA1CHRNGCHRNB1CHRNDL3MBTL1 | |
| SCHEMBL7358956 | 0.83 | KMT2A (0.51) | L3MBTL1 | |
| SCHEMBL7353915 | 0.82 | LAP3 (0.48) | L3MBTL1 | |
| SCHEMBL7362859 | 0.81 | KMT2A (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0753003-B1 | AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-06-16 | — | — | EP | disclosed |
| US-5668128-A | INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-09-16 | — | — | US | disclosed |