Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL2634852 | 0.83 | ALDH1A1 (0.49) | ALDH1A1NPSR1TDP1KHKKDM4E | |
| SCHEMBL21338969 | 0.83 | ALDH1A1 (0.49) | ALDH1A1NPSR1TDP1KHKKDM4E | |
| SCHEMBL30055347 | 0.83 | ALDH1A1 (0.49) | ALDH1A1NPSR1TDP1KHKKDM4E | |
| SCHEMBL1031743 | 0.75 | ALDH1A1 (0.56) | ALDH1A1NPSR1TDP1KHKKDM4E | |
| SCHEMBL30681117 | 0.75 | ALDH1A1 (0.56) | ALDH1A1NPSR1TDP1KHKKDM4E | |
| SCHEMBL7216099 | 0.74 | ALDH1A1 (0.55) | ALDH1A1NPSR1TDP1KHKKDM4E | |
| SCHEMBL30681150 | 0.74 | ALDH1A1 (0.55) | ALDH1A1NPSR1TDP1KHKKDM4E | |
| SCHEMBL1747710 | 0.73 | TSHR (0.44) | ALDH1A1NPSR1TDP1KDM4ESMN1; SMN2 | |
| SCHEMBL29504068 | 0.73 | TSHR (0.44) | ALDH1A1NPSR1TDP1KDM4ESMN1; SMN2 | |
| SCHEMBL1164261 | 0.72 | ALDH1A1 (0.53) | ALDH1A1NPSR1TDP1KHKCSNK1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7759459-B2 | Fluorescent assays for protein kinases | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2010-07-20 | — | — | US | disclosed |
| US-20050054024-A1 | Fluorescent assays for protein kinases | NATIONAL INSTITUTES OF HEALTH | 2005-03-10 | — | — | US | disclosed |
| WO-2004062475-A2 | FLUORESCENT ASSAYS FOR PROTEIN KINASES | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2004-07-29 | — | — | WO | disclosed |