Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 known ✓ | Q13464 | 2/20 | 0.36 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8687214 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2D6ABCG2MAPTMEN1 | |
| SCHEMBL13312577 | 0.74 | MEN1 (0.46) | MAPTMEN1KMT2AKDM4EHSD17B10 | |
| Iodide SCHEMBL3500716 | 0.74 | NPC1 (0.49) | MAPTMEN1KMT2AKDM4EHTT | |
| Iodide SCHEMBL3501443 | 0.73 | ROCK1 (0.46) | MAPTMEN1KMT2AHSD17B10SMN1; SMN2 | |
| Water SCHEMBL8687187 | 0.73 | CYP1A2 (0.44) | CYP1A2CYP2D6ABCG2MAPTMEN1 | |
| Iodide SCHEMBL9380644 | 0.73 | ROCK1 (0.52) | CYP1A2CYP2D6MAPTMEN1KMT2A | |
| SCHEMBL3499609 | 0.70 | DNMT1 (0.36) | MAPTMEN1KMT2AKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL3497424 | 0.69 | DNMT1 (0.35) | MAPTMEN1KMT2AKDM4ELMNA | |
| SCHEMBL291198 | 0.68 | TERT (0.67) | CYP1A2CYP2D6MEN1KMT2ARAB9A | |
| SCHEMBL26938056 | 0.67 | BPTF (0.54) | CYP1A2CYP2D6ABCG2MAPTMEN1 |
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-20100137566-A1 | Compounds and Methods Used to Treat Infectious Diseases | CYTOKINE PHARMASCIENCES, INC (US) | 2010-06-03 | — | — | US | disclosed |
| US-20060014760-A1 | Compounds and methods of use to treat infectious diseases | BUKRINSKY MICHAEL I | 2006-01-19 | — | — | US | disclosed |
| US-6906076-B2 | Compounds and methods of use to treat infectious diseases | CYTOKINE PHARMASCIENCES, INC. (US) | 2005-06-14 | — | — | US | disclosed |
| US-20040053815-A1 | Compounds and methods of use to treat infectious diseases | FERRING BV (NL) | 2004-03-18 | — | — | US | disclosed |
| EP-0865434-B1 | COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES | PICOWER INST MED RES (US) | 2003-12-17 | — | — | EP | disclosed |
| US-6649797-B2 | Contacting protein with a compound that is capable of stable reversible binding with basic amino acid residues of nuclear localization signal of protein for inactivating a nuclear localization signal of a protein | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH | 2003-11-18 | — | — | US | disclosed |
| US-20020077271-A1 | Compounds and methods of use to treat infectious diseases | FERRING BV (NL) | 2002-06-20 | — | — | US | disclosed |
| US-6297253-B1 | INACTIVATING A NUCLEAR LOCALIZATION SIGNAL OF A PROTEIN COMPRISING CONTACTING THE PROTEIN WITH AN ARYL CARBONYL COMPOUND THAT FORMS STABLE REVERSIBLE COVALENT INTERACTIONS WITH NEIGHBORING BASIC AMINO ACID RESIDUES | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH | 2001-10-02 | — | — | US | disclosed |
| US-5840893-A | TREATING MALARIA, HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1998016515-A1 | COMPOUNDS AND METHODS TO TREAT INFECTIOUS DISEASES | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) | 1998-04-23 | — | — | 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 (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-20060014760-A1 | Compounds and methods of use to treat infectious diseases | KPNA1, PHAX, NFATC1 | ROCK1 3329/4885PDGFRB 4656/4885CYP1A2 2665/4885 |
| US-20100137566-A1 | Compounds and Methods Used to Treat Infectious Diseases | KPNA1, NFATC1, MAVS | ROCK1 2897/4885PDGFRB 4588/4885CYP1A2 2824/4885 |
| US-20020077271-A1 | Compounds and methods of use to treat infectious diseases | KPNA1, PHAX, NFATC1 | ROCK1 3329/4885PDGFRB 4656/4885CYP1A2 2665/4885 |
| US-20040053815-A1 | Compounds and methods of use to treat infectious diseases | KPNA1, PHAX, NFATC1 | ROCK1 3329/4885PDGFRB 4656/4885CYP1A2 2665/4885 |
“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.