Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1258617 | 0.98 | NPC1 (0.47) | NPC1NAAAPRKCAEPHX1ALDH1A1 | |
| SCHEMBL1901243 | 0.96 | NPC1 (0.45) | NPC1NAAAPRKCAEPHX1ALDH1A1 | |
| SCHEMBL8614030 | 0.96 | NPC1 (0.45) | NPC1NAAAPRKCAEPHX1ALDH1A1 | |
| SCHEMBL22124333 | 0.95 | NPC1 (0.39) | NPC1NAAASPHK1GAA | |
| SCHEMBL1444884 | 0.93 | NPC1 (0.45) | NPC1NAAAALDH1A1 | |
| SCHEMBL3345126 | 0.91 | NPC1 (0.48) | NPC1NAAAEPHX1 | |
| SCHEMBL386704 | 0.91 | NPC1 (0.48) | NPC1NAAAEPHX1 | |
| SCHEMBL10679303 | 0.90 | EPHX2 (0.33) | NPC1SPHK1KMT2AGAA | |
| SCHEMBL3098673 | 0.90 | — | — | |
| Bicarbonate SCHEMBL10534241 | 0.88 | NAAA (0.40) | NPC1NAAAPRKCAEPHX1ALDH1A1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885726-B1 | ORTHO-CONDENSED 2-PYRIDINONE DERIVATIVES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA | MERCK SHARP & DOHME (US) | 2016-12-14 | — | — | EP | disclosed |
| US-8084485-B2 | 6-(aminoalkyl)indazoles | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20110152259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | PALANI ANANDAN | 2011-06-23 | — | — | US | disclosed |
| US-20110152259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | PALANI ANANDAN | 2011-06-23 | — | — | US | disclosed |
| US-20100331287-A1 | 6-(Aminoalkyl)Indazoles | VITAE PHARMACEUTICALS, INC. | 2010-12-30 | — | — | US | disclosed |
| US-20100298328-A1 | 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes | VITAE PHARMACEUTICALS, INC | 2010-11-25 | — | — | US | disclosed |
| US-20100227873-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2010-09-09 | — | — | US | disclosed |
| US-20100227873-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2010-09-09 | — | — | US | disclosed |
| US-7750015-B2 | Nitrogen-containing heterocyclic compounds and methods of use thereof | SCHERING CORPORATION (US) | 2010-07-06 | — | — | US | disclosed |
| US-7750015-B2 | Nitrogen-containing heterocyclic compounds and methods of use thereof | SCHERING CORPORATION (US) | 2010-07-06 | — | — | US | disclosed |
| US-20080293701-A1 | 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2008-11-27 | — | — | US | disclosed |
| WO-2008060476-A2 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SCHERING CORPORATION (US) | 2008-05-22 | — | — | WO | disclosed |
| US-20080019978-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2008-01-24 | — | — | US | disclosed |
| US-20080019978-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SCHERING CORPORATION | 2008-01-24 | — | — | US | disclosed |
| WO-2007123718-A1 | 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES | VITAE PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | WO | disclosed |
| WO-2007120523-A2 | 6-(AMINOALKYL)INDAZOLES | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| EP-1844002-A1 | 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-10-17 | — | — | EP | disclosed |
| US-20070066630-A1 | Nitrogen-containing heterocyclic compounds and methods of use thereof | MERCK SHARP & DOHME LLC | 2007-03-22 | — | — | US | disclosed |
| US-20070066630-A1 | Nitrogen-containing heterocyclic compounds and methods of use thereof | MERCK SHARP & DOHME LLC | 2007-03-22 | — | — | US | disclosed |
| WO-2006083924-A1 | 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-08-10 | — | — | 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 (7 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100331287-A1 | 6-(Aminoalkyl)Indazoles | REN, AGTR1, AGTR2 | NPC1 1443/4885NAAA 1904/4885PRKCA 1724/4885 |
| US-20100298328-A1 | 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes | REN, AGTR1, AGTR2 | NPC1 1066/4885NAAA 375/4885PRKCA 1756/4885 |
| US-20080019978-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 | NPC1 529/4885NAAA 789/4885PRKCA 4504/4885 |
| US-20070066630-A1 | Nitrogen-containing heterocyclic compounds and methods of use thereof | CYP11B2, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | NPC1 474/4885NAAA 862/4885PRKCA 4498/4885 |
| US-20110152259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 | NPC1 529/4885NAAA 789/4885PRKCA 4504/4885 |
| US-20080293701-A1 | 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors | REN, AGTR1, AGTR2 | NPC1 1268/4885NAAA 291/4885PRKCA 2778/4885 |
| US-20100227873-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 | NPC1 529/4885NAAA 789/4885PRKCA 4504/4885 |
“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.