Cytosine

Cytosine

SCHEMBL9116352

Nc1ccnc(=O)[nH]1.[Ca+2].[Cl-].[Cl-]

nearest known ligand 0.41

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Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cytosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP known ✓ O00591 2/20 0.33
GABRD known ✓ O14764 2/20 0.33
GABRA1 known ✓ P14867 2/20 0.33
GABRB1 known ✓ P18505 2/20 0.33
GABRG2 known ✓ P18507 2/20 0.33
GABRB3 known ✓ P28472 2/20 0.33
GABRA5 known ✓ P31644 2/20 0.33
GABRA3 known ✓ P34903 2/20 0.33
GABRA2 known ✓ P47869 2/20 0.33
GABRB2 known ✓ P47870 2/20 0.33
GABRA4 known ✓ P48169 2/20 0.33
GABRE known ✓ P78334 2/20 0.33
GABRA6 known ✓ Q16445 2/20 0.33
GABRG1 known ✓ Q8N1C3 2/20 0.33
GABRG3 known ✓ Q99928 2/20 0.33
GABRQ known ✓ Q9UN88 2/20 0.33
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AURKA O14965 1/20 0.34

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.

Compoundsimilaritytop predictedshared targets
Cytosine SCHEMBL308339 0.98
Cytosine SCHEMBL29787229 0.98 POLB (0.42) POLBNPC1RAB9AAURKAKMT2A
Adenine SCHEMBL30068984 0.74 PI4KA (0.63) AURKACDC7
SCHEMBL4795553 0.73
Guanine SCHEMBL29349830 0.73 PNP (0.72) KMT2AKDM4EMEN1
SCHEMBL2927541 0.70
SCHEMBL29029023 0.68
Uracil SCHEMBL29525634 0.68
SCHEMBL30315297 0.68
SCHEMBL21792155 0.68

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664686-A4 APPARATUS AND METHOD FOR ENHANCED INTRAVASCULAR PHONOPHORESIS INCLUDING DISSOLUTION OF INTRAVASCULAR BLOCKAGE AND CONCOMITANT INHIBITION OF RESTENOSIS. CORAJE INC (US) 1995-10-18 EP disclosed
EP-0664686-A1 APPARATUS AND METHOD FOR ENHANCED INTRAVASCULAR PHONOPHORESIS INCLUDING DISSOLUTION OF INTRAVASCULAR BLOCKAGE AND CONCOMITANT INHIBITION OF RESTENOSIS CORAJE, INC. (US) 1995-08-02 EP disclosed
WO-1994006355-A1 APPARATUS AND METHOD FOR ENHANCED INTRAVASCULAR PHONOPHORESIS INCLUDING DISSOLUTION OF INTRAVASCULAR BLOCKAGE AND CONCOMITANT INHIBITION OF RESTENOSIS CORAJE, INC. (US) 1994-03-31 WO disclosed