Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 19/20 | 1.00 |
| ▸ | PRSS1 | P07477 | 6/20 | 0.69 |
| ▸ | PROC | P04070 | 5/20 | 0.69 |
| ▸ | PLAT | P00750 | 3/20 | 0.69 |
| ▸ | F2 | P00734 | 6/20 | 0.61 |
| ▸ | PLG | P00747 | 4/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL7540125 | 1.00 | F10 (1.00) | F10PRSS1PROCPLATF2 | |
| Trifluoroacetic Acid SCHEMBL7545759 | 0.94 | F10 (0.88) | F10PRSS1PROCPLATF2 | |
| Trifluoroacetic Acid SCHEMBL7538088 | 0.94 | F10 (0.88) | F10PRSS1PROCPLATF2 | |
| SCHEMBL7539523 | 0.91 | F10 (0.83) | F10PRSS1PROCPLATF2 | |
| SCHEMBL7536954 | 0.89 | F10 (0.80) | F10PRSS1PROCPLATF2 | |
| SCHEMBL6220735 | 0.88 | F10 (1.00) | F10PRSS1PROCPLATF2 | |
| SCHEMBL7538068 | 0.88 | F10 (0.79) | F10PRSS1PROCPLATF2 | |
| Trifluoroacetic Acid SCHEMBL7541583 | 0.84 | F10 (0.73) | F10PRSS1PROCPLATF2 | |
| SCHEMBL7540352 | 0.81 | F10 (0.68) | F10PRSS1PROCPLATF2 | |
| Trifluoroacetic Acid SCHEMBL7505792 | 0.80 | F10 (0.67) | F10PRSS1PROCPLATF2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7970581-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-7970581-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-7970580-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-7970580-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-06-28 | — | — | US | disclosed |
| US-20100241411-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-20100241411-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-20100241412-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-20100241412-A1 | Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-09-23 | — | — | US | disclosed |
| US-7756674-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-07-13 | — | — | US | disclosed |
| US-7756674-B2 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090037136-A1 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-02-05 | — | — | US | disclosed |
| US-20090037136-A1 | Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-02-05 | — | — | US | disclosed |