Phenylacetic Acid

Phenylacetic Acid

SCHEMBL27804643

N=C(N)N.O=C(O)Cc1ccccc1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Phenylacetic Acid. 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
AKR1B1 P15121 1/20 0.77
ABCC4 O15439 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
TSHR P16473 1/20 0.59
PTGS1 P23219 1/20 0.59
HTT P42858 1/20 0.59
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
HIF1A Q16665 1/20 0.55
FFAR1 O14842 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
PLAU P00749 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PAM P19021 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
Phenylacetic Acid SCHEMBL28326941 0.98 AKR1B1 (0.74) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL27698943 0.94 AKR1B1 (0.68) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL2146253 0.88 AKR1B1 (0.81) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL7322793 0.88 AKR1B1 (0.90) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL9449909 0.88 AKR1B1 (1.00) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL13618842 0.88 AKR1B1 (1.00) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL28242469 0.88 AKR1B1 (1.00) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL1330777 0.88 AKR1B1 (1.00) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL1459 0.88 AKR1B1 (1.00) AKR1B1ABCC4LMNAGAATSHR
Phenylacetic Acid SCHEMBL27758886 0.88 AKR1B1 (1.00) AKR1B1ABCC4LMNAGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111944763-B CAR-T cell culture medium and culture method 广东康盾创新产业集团股份公司 2023-04-07 CN claimed
CN-111944763-A CAR-T cell culture medium and culture method 广东康盾生物工程技术有限公司 2020-11-17 CN claimed
CN-103751943-A Fire extinguishing composition containing nitrogenous organic compound XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY 2014-04-30 CN claimed
CN-101957376-A Colloidal gold chromatography test paper for rapidly detecting guanidineacetic acid and derivatives thereof and preparation method thereof NANTONG YISHI BIOLOG TECHNOLOGY CO LTD 2011-01-26 CN claimed
CN-111944763-B CAR-T cell culture medium and culture method 广东康盾创新产业集团股份公司 2023-04-07 CN disclosed
CN-111944763-B CAR-T cell culture medium and culture method 广东康盾创新产业集团股份公司 2023-04-07 CN disclosed
CN-111944763-A CAR-T cell culture medium and culture method 广东康盾生物工程技术有限公司 2020-11-17 CN disclosed
CN-111944763-A CAR-T cell culture medium and culture method 广东康盾生物工程技术有限公司 2020-11-17 CN disclosed
CN-103751943-B Fire extinguishing composition containing nitrogen-containing organic compound 湖北及安盾消防科技有限公司 2020-10-13 CN disclosed
CN-103751943-A Fire extinguishing composition containing nitrogenous organic compound XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY 2014-04-30 CN disclosed
CN-101957376-A Colloidal gold chromatography test paper for rapidly detecting guanidineacetic acid and derivatives thereof and preparation method thereof NANTONG YISHI BIOLOG TECHNOLOGY CO LTD 2011-01-26 CN disclosed