Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.57 |
| ▸ | GSK3A | P49840 | 3/20 | 0.48 |
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | PRKCQ | Q04759 | 11/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12305505 | 0.85 | MEN1 (0.46) | GSK3BGSK3AAURKAMEN1KMT2A | |
| SCHEMBL12305503 | 0.82 | MEN1 (0.43) | GSK3BGSK3AAURKAMEN1KMT2A | |
| SCHEMBL12305502 | 0.79 | MEN1 (0.45) | GSK3BGSK3AAURKAMEN1KMT2A | |
| SCHEMBL12305507 | 0.78 | MEN1 (0.49) | GSK3BMEN1KMT2APOLBMAPT | |
| SCHEMBL15888913 | 0.75 | AURKA (0.39) | GSK3BGSK3AAURKAPTK2BSIRT5 | |
| SCHEMBL12305511 | 0.72 | HTT (0.46) | MEN1KMT2APOLBCYP3A4MAPT | |
| SCHEMBL5402268 | 0.69 | GSK3B (0.82) | GSK3BGSK3AAURKAMEN1KMT2A | |
| SCHEMBL265122 | 0.69 | MAPK1 (0.56) | MEN1KMT2APOLBCYP3A4MAPT | |
| SCHEMBL238958 | 0.69 | MEN1 (0.68) | MEN1KMT2APOLBMAPT | |
| SCHEMBL21710428 | 0.68 | KMT2A (0.66) | GSK3BMEN1KMT2APOLBCYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8785419-B2 | Cavity induced allosteric modification of intermolecular interactions and methods of identifying compounds that effect the same | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2014-07-22 | — | — | US | disclosed |
| US-8019557-B2 | Cavity induced allosteric modification of intermolecular interactions and methods of identifying compounds that effect the same | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100151507-A1 | Cavity Induced Allosteric Modification Of Intermolecular Interactions And Methods Of Identifying Compounds That Effect The Same | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-06-17 | — | — | US | disclosed |
| US-7653495-B1 | Comprises series of steps including identifying cavity proximal to functional critical site, determining physical parameters of cavity, identifying functional groups which can be accommodated by cavity, testing compounds comprising such functional groups in an in vitro assay to determine which are active | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2010-01-26 | — | — | US | disclosed |