Isocitrate

Isocitrate

SCHEMBL2396434

O=C(O)CC(C(=O)O)C(O)C(=O)O.[Zn]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.46
TSHR P16473 2/20 0.45
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.36
PDE4A P27815 1/20 0.36
FOLH1 Q04609 1/20 0.36
MAPT P10636 1/20 0.34
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 1/20 0.33
CPT2 P23786 1/20 0.33
ACLY P53396 1/20 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.

Compoundsimilaritytop predictedshared targets
Isocitric Acid SCHEMBL29645996 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitric Acid SCHEMBL2794437 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitric Acid SCHEMBL27894954 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitrate SCHEMBL1289944 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitric Acid SCHEMBL12927570 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitric Acid SCHEMBL6249818 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitrate SCHEMBL8373 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitric Acid SCHEMBL30700829 0.97 TDP1 (0.68) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitrate SCHEMBL23648394 0.95 TDP1 (0.65) TDP1SMN1; SMN2SLC22A6TSHRGABRR1
Isocitrate SCHEMBL2580646 0.95 TDP1 (0.74) TDP1SMN1; SMN2SLC22A6TSHRGABRR1

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