Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL523614 | 0.89 | NPSR1 (0.54) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| SCHEMBL522024 | 0.82 | HRH4 (0.46) | NPSR1CXCR4KCNH2HRH4GRIN2D | |
| SCHEMBL7333040 | 0.81 | CXCR4 (0.52) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL10753045 | 0.79 | GRIN2D (0.48) | NPSR1CXCR4KCNH2HRH4GRIN2D | |
| SCHEMBL28610171 | 0.79 | HRH4 (0.44) | NPSR1CXCR4KCNH2HRH4GRIN2D | |
| SCHEMBL7788876 | 0.79 | NOS3 (0.45) | NPSR1CXCR4NOS1NOS2 | |
| SCHEMBL14076725 | 0.79 | NPSR1 (0.50) | NPSR1CXCR4KDM4ECYP3A4MAPT | |
| SCHEMBL27113638 | 0.79 | NPSR1 (0.42) | NPSR1CXCR4KDM4EKCNH2HRH4 | |
| SCHEMBL29791992 | 0.77 | SMN1; SMN2 (0.53) | NPSR1CXCR4CYP3A4NOS2SMN1; SMN2 | |
| SCHEMBL2476858 | 0.77 | SMN1; SMN2 (0.53) | NPSR1CXCR4CYP3A4NOS2SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188216-B2 | Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery | TRANZYME PHARMA INC. (CA) | 2012-05-29 | — | — | US | disclosed |
| EP-2055713-A1 | Peptide purification by means of metal ion affinity chromatography | NOVO NORDISK A/S (DK) | 2009-05-06 | — | — | EP | disclosed |
| EP-1446426-B1 | PEPTIDE PURIFICATION BY MEANS OF METAL ION AFFINITY CHROMATOGRAPHY | NOVO NORDISK AS (DK) | 2009-01-28 | — | — | EP | disclosed |
| US-20080293917-A1 | Peptide Purification By Means Of Metal Ion Affinity Chromatography | NOVO NORDISK A/S (DK) | 2008-11-27 | — | — | US | disclosed |
| US-20080293917-A1 | Peptide Purification By Means Of Metal Ion Affinity Chromatography | NOVO NORDISK A/S (DK) | 2008-11-27 | — | — | US | disclosed |
| US-7456276-B2 | Peptide purification by means of metal ion affinity chromatography | NOVO NORDISK A/S (DK) | 2008-11-25 | — | — | US | disclosed |
| US-7456276-B2 | Peptide purification by means of metal ion affinity chromatography | NOVO NORDISK A/S (DK) | 2008-11-25 | — | — | US | disclosed |
| US-7169899-B1 | Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents | TRANZYME PHARMA INC. (CA) | 2007-01-30 | — | — | 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 (1 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-20080293917-A1 | Peptide Purification By Means Of Metal Ion Affinity Chromatography | NGLY1, VIP, NPPA | NPSR1 466/4885CXCR4 1585/4885KDM4E 4853/4885 |
“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.