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Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL266403

CCc1ccc(OC)c(OC)c1.N

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.68
▸ ATM Q13315 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ PPARG P37231 1/20 0.57
▸ PPARD Q03181 1/20 0.57
▸ PPARA Q07869 1/20 0.57
▸ PTGS2 P35354 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ CYP19A1 P11511 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ AOC3 Q16853 1/20 0.52

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
Hydrochloric Acid SCHEMBL9485631 0.98 CA2 (0.65) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL31428 0.98 CA2 (0.71) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL31275634 0.98 CA2 (0.71) CA2ATMKDM4EALDH1A1PPARG
Water SCHEMBL8587595 0.95 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
Methylamine SCHEMBL7276343 0.93 CA2 (0.65) CA2ATMKDM4EALDH1A1PPARG
Ethyne SCHEMBL27435391 0.93 CA2 (0.65) CA2ATMKDM4EALDH1A1PPARG
Methylamine SCHEMBL9598985 0.91 CA2 (0.63) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL11030253 0.85 CALM1 (0.56) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL8171761 0.85 CALM1 (0.65) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL31540298 0.84 CA2 (0.53) CA2ATMKDM4EALDH1A1PPARG

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086256-B1 1-(2,4-DICHLOROPHENOXY)-3-(3,4-DIMETHOXY-BETA-PHENETHYLAMINO)-PROPAN-2-0L, PROCESSES FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT VEB Arzneimittelwerk Dresden (DD) 1985-08-21 — — EP claimed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 — — US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 — — US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 — — EP disclosed
US-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 — — US disclosed
US-20120164724-A1 NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM KANEKA CORPORATION (JP) 2012-06-28 — — US disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 — — WO disclosed
US-8133705-B2 Aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2012-03-13 — — US disclosed
CN-102256973-A Corydaline derivatives useful for reducing lipid levels CVI PHARMACEUTICALS LTD 2011-11-23 — — CN disclosed
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2010-11-11 — — US disclosed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 — — EP disclosed
CN-1918147-A 1,2,3, 4-tetrahydroisoquinoline derivatives, preparation and use thereof ASTRAZENECA AB (SE) 2007-02-21 — — CN disclosed
US-6346402-B1 ACTS ON OPTICALLY ACTIVE (S)-ALPHA-PHENETHYLAMINE AND PYRUVIC ACID TO FORM ACETOPHENONE AND ALANINE; FOR PRODUCING CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS KANEKA CORPORATION (JP) 2002-02-12 — — US disclosed
US-6277851-B1 ORALLY ADMINISTERED TRYPSIN-RELATED SERINE PROTEASE INHIBITORS; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-08-21 — — US disclosed
EP-1045025-A1 (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE KANEKA CORPORATION (JP) 2000-10-18 — — EP disclosed
EP-0960084-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1999-12-01 — — EP disclosed
CN-1045291-C Therapeutic agents BOOTS CO PLC (GB) 1999-09-29 — — CN disclosed
WO-1998033751-A1 NOVEL SOLID-PHASE SYNTHESIS TECHNIQUES FOR PREPARING MULTIPLE ANALOGOUS COMPOUNDS AXYS PHARMACEUTICALS, INC. (US) 1998-08-06 — — WO disclosed
CN-1096780-A Therapeutic agents containing novel tetrahydroisoquinoline compounds BOOTS CO PLC (GB) 1994-12-28 — — CN disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 — — CN 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 (2 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CA2 1127/4885ATM 4254/4885KDM4E 530/4885
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them BCAT1, AGXT, ALDH7A1 CA2 2167/4885ATM 2288/4885KDM4E 2050/4885

“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.