Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.69 |
| ▸ | DAO | P14920 | 2/20 | 0.59 |
| ▸ | NSD2 | O96028 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
| ▸ | LIG1 | P18858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | CASP2 | P42575 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL28094093 | 0.82 | CES1 (0.93) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL594546 | 0.81 | CES1 (1.00) | CES1DAONSD2BCHELIG1 | |
| Methane SCHEMBL28257010 | 0.80 | CES1 (0.96) | CES1DAONSD2BCHELIG1 | |
| Butane SCHEMBL28094097 | 0.78 | CES1 (0.84) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL4180960 | 0.76 | CES1 (0.71) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL17038548 | 0.76 | L3MBTL1 (0.55) | CES1DAONSD2BCHELIG1 | |
| Toluene SCHEMBL28094090 | 0.76 | CES1 (0.79) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL3088689 | 0.75 | DAO (1.00) | CES1DAONSD2BCHELIG1 | |
| SCHEMBL17616514 | 0.74 | CES1 (0.39) | CES1DAOCA2EGFRERBB2 | |
| SCHEMBL31016514 | 0.74 | CES1 (0.54) | CES1DAONSD2BCHELIG1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8741914-B2 | Antiviral compounds and uses thereof | ABBVIE INC. (US) | 2014-06-03 | — | — | US | disclosed |
| US-8741914-B2 | Antiviral compounds and uses thereof | ABBVIE INC. (US) | 2014-06-03 | — | — | US | disclosed |
| US-8741914-B2 | Antiviral compounds and uses thereof | ABBVIE INC. (US) | 2014-06-03 | — | — | US | disclosed |
| EP-2421845-B1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | ABBOTT LAB (US) | 2013-04-17 | — | — | EP | disclosed |
| EP-2421845-B1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | ABBOTT LAB (US) | 2013-04-17 | — | — | EP | disclosed |
| US-8367695-B2 | Condensed tetrahydroquinoline derivative and use thereof for medical purposes | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20120100104-A1 | Antiviral Compounds And Uses Thereof | ABBOTT LABORATORIES (US) | 2012-04-26 | — | — | US | disclosed |
| US-20120100104-A1 | Antiviral Compounds And Uses Thereof | ABBOTT LABORATORIES (US) | 2012-04-26 | — | — | US | disclosed |
| US-20120100104-A1 | Antiviral Compounds And Uses Thereof | ABBOTT LABORATORIES (US) | 2012-04-26 | — | — | US | disclosed |
| US-20120053148-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. (US) | 2012-03-01 | — | — | US | disclosed |
| EP-2421845-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Abbott Laboratories (US) | 2012-02-29 | — | — | EP | disclosed |
| WO-2011156610-A2 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. (US) | 2011-12-15 | — | — | WO | disclosed |
| WO-2010111437-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-09-30 | — | — | WO | disclosed |
| WO-2010111437-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-09-30 | — | — | WO | disclosed |
| US-20100063055-A1 | CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-11 | — | — | US | disclosed |
| US-20080255192-A1 | 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins | WYETH (US) | 2008-10-16 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120100104-A1 | Antiviral Compounds And Uses Thereof | MAVS, ZC3HAV1, EIF2AK2 | CES1 798/4885DAO 762/4885NSD2 1459/4885 |
| US-20120053148-A1 | INHIBITORS OF HEPATITIS C VIRUS | HAVCR2, FABP1, EIF2AK2 | CES1 74/4885DAO 2073/4885NSD2 3817/4885 |
| US-20100063055-A1 | CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | NR3C2, MC2R, NR5A1 | CES1 4035/4885DAO 4820/4885NSD2 1167/4885 |
| US-20080255192-A1 | 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins | VCAM1, ICAM1, SELE | CES1 1128/4885DAO 1268/4885NSD2 4420/4885 |
“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.