Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | INSR | P06213 | 1/20 | 0.47 |
| ▸ | IGF1R | P08069 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2601968 | 0.90 | HRH2 (0.52) | CYP3A4CYP2D6MEN1KMT2ATSHR | |
| SCHEMBL16312618 | 0.87 | HRH2 (0.55) | CYP3A4CYP2D6HRH2HSP90AA1INSR | |
| SCHEMBL13037131 | 0.84 | HRH2 (0.48) | CYP3A4MEN1KMT2ATSHRHRH2 | |
| SCHEMBL13037128 | 0.84 | TAAR1 (0.58) | CYP3A4CYP2D6MEN1KMT2ATSHR | |
| SCHEMBL1740556 | 0.84 | HDAC1 (0.59) | CYP3A4CYP2D6MEN1KMT2ATSHR | |
| Hydrochloric Acid SCHEMBL3562575 | 0.83 | MEN1 (0.47) | CYP3A4MEN1KMT2AHRH2HSP90AA1 | |
| SCHEMBL19500871 | 0.82 | LTA4H (0.52) | CYP3A4MEN1KMT2ATSHRHRH2 | |
| SCHEMBL6296271 | 0.82 | TAAR1 (0.55) | CYP3A4CYP2D6MEN1KMT2ATSHR | |
| SCHEMBL27494714 | 0.81 | KCNH2 (0.53) | CYP3A4CYP1A2 | |
| SCHEMBL11693746 | 0.80 | HRH2 (0.55) | CYP3A4CYP2D6MEN1KMT2AHRH2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| US-20080293942-A1 | Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives | COUSINS RUSSELL D | 2008-11-27 | — | — | US | disclosed |
| US-20080293942-A1 | Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives | COUSINS RUSSELL D | 2008-11-27 | — | — | US | disclosed |
| US-20080293942-A1 | Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives | COUSINS RUSSELL D | 2008-11-27 | — | — | US | disclosed |
| EP-1954694-A1 | IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR | Kalypsys, Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| CN-101123962-A | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS INC (US) | 2008-02-13 | — | — | CN | disclosed |
| US-20070197609-A1 | SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2007-08-23 | — | — | US | disclosed |
| US-20070197609-A1 | SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2007-08-23 | — | — | US | disclosed |
| US-20070197609-A1 | SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2007-08-23 | — | — | US | disclosed |
| EP-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2007062410-A1 | IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR | KALYPSYS, INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062410-A1 | IMIDAZOLE DERIVATIVES AS NITRIC OXIDE SYNTHASE DIMERISATION INHIBITOR | KALYPSYS, INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062417-A1 | METHODS OF PREPARING 2-IMIDAZOL-1-YL-4-METHYL-6-PYRROLIDIN-2-YL-PYRIMIDINE AND 4-(1-ALKYLPYRROLIDIN-2-YL)-2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDINE DERIVATIVES | KALYPSYS, INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007062417-A1 | METHODS OF PREPARING 2-IMIDAZOL-1-YL-4-METHYL-6-PYRROLIDIN-2-YL-PYRIMIDINE AND 4-(1-ALKYLPYRROLIDIN-2-YL)-2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDINE DERIVATIVES | KALYPSYS, INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |
| US-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. | 2006-06-01 | — | — | 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 (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-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | NOS3, NOS2, NOS1 | CYP3A4 80/4885CYP2D6 327/4885MEN1 4731/4885 |
| US-20070197609-A1 | SALTS OF INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | NOS2, NOS1, NOS3 | CYP3A4 564/4885CYP2D6 704/4885MEN1 4607/4885 |
| US-20080293942-A1 | Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives | NOS2, NOS1, NOS3 | CYP3A4 190/4885CYP2D6 276/4885MEN1 4291/4885 |
“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.