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 | 8/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 7/20 | 0.42 |
| ▸ | CA2 known ✓ | P00918 | 6/20 | 0.41 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.41 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.31 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 8/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.41 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5327501 | 0.76 | KMT2A (0.50) | KMT2AMEN1CA12CA9CA1 | |
| SCHEMBL9847817 | 0.74 | KMT2A (0.48) | KMT2AMEN1CA12CA9CA1 | |
| SCHEMBL4515826 | 0.71 | KMT2A (0.45) | KMT2AMEN1EHMT2EHMT1HSD17B10 | |
| SCHEMBL4498446 | 0.71 | KMT2A (0.45) | KMT2AMEN1EHMT2EHMT1HSD17B10 | |
| SCHEMBL5888694 | 0.70 | MEN1 (0.44) | KMT2AMEN1HSD17B10SMN1; SMN2LMNA | |
| SCHEMBL2777832 | 0.69 | MEN1 (0.52) | KMT2AMEN1CA12CA9CA1 | |
| SCHEMBL129064 | 0.69 | — | — | |
| SCHEMBL514695 | 0.67 | — | — | |
| Water SCHEMBL988207 | 0.67 | CA12 (0.62) | KMT2AMEN1CA12CA9CA1 | |
| SCHEMBL1962792 | 0.67 | MEN1 (0.45) | KMT2AMEN1CA12CA1HSD17B10 |
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-0416565-B1 | Method for producing deoxycelluloses | AKZO NV (NL) | 1994-02-23 | — | — | EP | disclosed |
| EP-0416565-A1 | Method for producing deoxycelluloses | Akzo Nobel N.V. (NL) | 1991-03-13 | — | — | EP | disclosed |