Isocitric Acid

Isocitric Acid

SCHEMBL2396430

O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[Zn+2].[Zn+2].[Zn+2]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.50
CTSL P07711 1/20 0.41
CA2 P00918 1/20 0.39
SLC22A16 Q86VW1 1/20 0.38
LMNA P02545 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.32
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30

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
Isocitric Acid SCHEMBL7188284 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL19138174 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL2580919 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL6739636 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL1061380 0.95 CA4 (0.54) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL2583035 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL11648770 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL2581302 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL6739630 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA
Isocitric Acid SCHEMBL11483986 0.95 CA4 (0.50) CA4CTSLCA2SLC22A16LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563538-B2 Preventing and/or treating cardiovascular disease and/or associated heart failure PHILERA NEW ZEALAND LIMITED (NZ) 2013-10-22 US claimed
EP-1487431-B1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE PHILERA NEW ZEALAND LTD (NZ) 2012-05-02 EP claimed
US-8034799-B2 Preventing and/or treating cardiovascular disease and/or associated heart failure PHILERA NEW ZEALAND LIMITED (NZ) 2011-10-11 US claimed
US-20110212188-A1 PREVENTING AND/OR TREATING CARDIOVASCULAR DISEASE AND/OR ASSOCIATED HEART FAILURE PHILERA NEW ZEALAND LIMITED (NZ) 2011-09-01 US claimed
US-20060009534-A1 Preventing and/or treating cardiovascular disease and/or associated heart failure PHILERA NEW ZEALAND LIMITED (NZ) 2006-01-12 US claimed