Pyruvate

Pyruvate

SCHEMBL21145221

CC(=O)C(=O)O.c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GLA P06280 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TP53 P04637 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
CRHBP P24387 1/20 0.43
ATM Q13315 1/20 0.43

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
Acetic Acid SCHEMBL21145121 0.90 ALDH1A1 (0.54) ALDH1A1GLATSHRNPSR1L3MBTL1
Acetone SCHEMBL11330473 0.90 ALDH1A1 (0.54) ALDH1A1GLATSHRNPSR1L3MBTL1
Acetic Acid SCHEMBL10361780 0.87 ALDH1A1 (0.52) ALDH1A1GLATSHRNPSR1L3MBTL1
Oxalic Acid SCHEMBL21145207 0.87 NPSR1 (0.55) ALDH1A1GLATSHRNPSR1L3MBTL1
Oxalic Acid SCHEMBL21145209 0.87 NPSR1 (0.55) ALDH1A1GLATSHRNPSR1L3MBTL1
Methacrylic Acid SCHEMBL27594937 0.86 ALDH1A1 (0.47) ALDH1A1GLATSHRNPSR1L3MBTL1
Bicarbonate SCHEMBL6732703 0.84 NPSR1 (0.57) ALDH1A1GLATSHRNPSR1L3MBTL1
Methyl Alcohol SCHEMBL2150847 0.81 ALDH1A1 (0.57) ALDH1A1GLATSHRNPSR1L3MBTL1
Propionic Acid SCHEMBL21145220 0.80 ALDH1A1 (0.56) ALDH1A1GLATSHRNPSR1L3MBTL1
Oxalic Acid SCHEMBL29264700 0.79 CES2 (0.48) ALDH1A1GLATSHRNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 ALDH1A1 1010/4885GLA 458/4885TSHR 3146/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK ALDH1A1 3629/4885GLA 756/4885TSHR 1850/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA ALDH1A1 1465/4885GLA 862/4885TSHR 3345/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 ALDH1A1 1179/4885GLA 1080/4885TSHR 2235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.