Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 3/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.38 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.38 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.38 |
| ▸ | ITGAL | P20701 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 3/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.38 |
| ▸ | MASP2 | O00187 | 7/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8514600 | 1.00 | HDAC2 (0.49) | HDAC2AKR1C3AKR1C1DPP4TP53 | |
| Hydrochloric Acid SCHEMBL9543359 | 0.98 | HDAC2 (0.48) | HDAC2AKR1C3AKR1C1DPP4TP53 | |
| SCHEMBL27586092 | 0.86 | HDAC2 (0.46) | HDAC2AKR1C3AKR1C1DPP4TP53 | |
| SCHEMBL350327 | 0.81 | HDAC2 (0.49) | HDAC2DPP4 | |
| SCHEMBL19995891 | 0.81 | HDAC2 (0.49) | HDAC2DPP4 | |
| Hydrochloric Acid SCHEMBL18631883 | 0.79 | HDAC2 (0.48) | HDAC2DPP4 | |
| SCHEMBL23501949 | 0.77 | HDAC2 (0.42) | HDAC2 | |
| SCHEMBL4378036 | 0.77 | HTR2C (0.44) | HDAC2 | |
| SCHEMBL1663596 | 0.76 | GRIK2 (0.32) | HDAC2ITGB3ITGB2ITGB1ITGAV | |
| SCHEMBL22296049 | 0.75 | HDAC2 (0.40) | HDAC2 |
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-10017481-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2018-07-10 | — | — | US | claimed |
| US-9512139-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2016-12-06 | — | — | US | claimed |
| US-20150051183-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2015-02-19 | — | — | US | claimed |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-10-25 | — | — | US | claimed |
| EP-3087094-B1 | BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS | POLYPHOR AG (CH) | 2022-06-01 | — | — | EP | disclosed |
| US-10017481-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2018-07-10 | — | — | US | disclosed |
| US-9284352-B2 | Beta-hairpin peptidomimetics having CXCR4 antagonizing activity | POLYPHOR AG (CH) | 2016-03-15 | — | — | US | disclosed |
| US-20150051183-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2015-02-19 | — | — | US | disclosed |
| US-8865656-B2 | Beta-hairpin peptidomimetics having CXCR4 antagonizing activity | POLYPHOR AG (CH) | 2014-10-21 | — | — | US | disclosed |
| US-20120135942-A1 | BETA-HAIRPIN PEPTIDOMIMETICS | POLYPHOR AG (CH) | 2012-05-31 | — | — | 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-20120135942-A1 | BETA-HAIRPIN PEPTIDOMIMETICS | CXCR4, CXCL12, CXCR6 | HDAC2 4384/4885AKR1C3 3537/4885AKR1C1 3928/4885 |
| US-10017481-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | CTSE, CTSB, CTSS | HDAC2 1865/4885AKR1C3 898/4885AKR1C1 1659/4885 |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | KCNB1, KCNAB1, KCNMB1 | HDAC2 3498/4885AKR1C3 2458/4885AKR1C1 2586/4885 |
| US-20150051183-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | CTSE, CTSB, CTSS | HDAC2 1865/4885AKR1C3 898/4885AKR1C1 1659/4885 |
“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.