Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 10/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | GAK | O14976 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | ULK1 | O75385 | 1/20 | 0.35 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.35 |
| ▸ | STK10 | O94804 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2873403 | 0.90 | GPR88 (0.43) | GPR88CHEK1MELKKCNH2PLK4 | |
| SCHEMBL2876437 | 0.88 | GPR88 (0.47) | GPR88CHEK1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3812854 | 0.77 | CHRM1 (0.39) | CHEK1KDM4EHTTATMUSP30 | |
| SCHEMBL2876967 | 0.76 | KDM4E (0.46) | CHEK1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL2876348 | 0.75 | GHSR (0.38) | — | |
| SCHEMBL2870751 | 0.74 | KDM4E (0.47) | KDM4EHTTATM | |
| SCHEMBL2877042 | 0.74 | NR1I2 (0.41) | CHEK1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL2878280 | 0.73 | NR1I2 (0.41) | CHEK1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2878699 | 0.73 | KDM4E (0.49) | KDM4EHTTATM | |
| SCHEMBL2874710 | 0.72 | GHSR (0.41) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829030-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2014-09-09 | — | — | US | disclosed |
| US-20130096106-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-04-18 | — | — | US | disclosed |
| US-8357718-B2 | N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-01-22 | — | — | US | disclosed |
| EP-1569929-B9 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2011-09-14 | — | — | EP | disclosed |
| EP-1569929-B1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC (CA) | 2010-05-05 | — | — | EP | disclosed |
| US-20080269481-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2008-10-30 | — | — | US | disclosed |
| US-7402608-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2008-07-22 | — | — | US | disclosed |
| EP-1569929-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS | Virochem Pharma Inc. (CA) | 2005-09-07 | — | — | EP | disclosed |
| US-20050009804-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2005-01-13 | — | — | US | disclosed |
| WO-2004052885-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC. (CA) | 2004-06-24 | — | — | 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 (3 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-20050009804-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | ZC3HAV1, ZYX, ZFX | GPR88 4175/4885CHEK1 4773/4885CHRNB2 4859/4885 |
| US-20130096106-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | ZC3HAV1, ZYX, ZFX | GPR88 4175/4885CHEK1 4773/4885CHRNB2 4859/4885 |
| US-20080269481-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | ZC3HAV1, ZYX, ZFX | GPR88 4175/4885CHEK1 4773/4885CHRNB2 4859/4885 |
“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.