Isonicotinic Acid

Isonicotinic Acid

SCHEMBL25273296

O=C([O-])c1ccncc1.O=C([O-])c1ccncc1.[Ca+2]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Isonicotinic 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
▸ NAPRT Q6XQN6 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ CA2 P00918 10/20 0.50
▸ CA4 P22748 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ MPO P05164 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CA1 P00915 9/20 0.48
▸ HSD17B10 Q99714 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
Isonicotinic Acid SCHEMBL3705303 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL25271513 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL11323095 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL25269382 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL25273196 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL25273147 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL25270921 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL25261209 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL5858849 0.95 CA2 (0.56) NAPRTALDH1A1CA2CA4MEN1
Isonicotinic Acid SCHEMBL5216523 0.95 NAPRT (0.56) NAPRTALDH1A1CA2CA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240322260-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS CONTAINING THE SAME CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2024-09-26 — — US claimed
EP-4318701-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS COMPRISING SAME Contemporary Amperex Technology Co., Limited (CN) 2024-02-07 — — EP claimed
WO-2023102793-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS COMPRISING SAME 宁德时代新能源科技股份有限公司 2023-06-15 — — WO claimed
US-20240322260-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS CONTAINING THE SAME CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2024-09-26 — — US disclosed
EP-4318701-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS COMPRISING SAME Contemporary Amperex Technology Co., Limited (CN) 2024-02-07 — — EP disclosed
CN-117321818-A Secondary battery and electricity utilization device comprising same 宁德时代新能源科技股份有限公司 2023-12-29 — — CN disclosed
WO-2023102793-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS COMPRISING SAME 宁德时代新能源科技股份有限公司 2023-06-15 — — WO 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 (1 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-20240322260-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS CONTAINING THE SAME SOD1, SOD3, CAT NAPRT 3967/4885ALDH1A1 926/4885CA2 94/4885

“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.

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