Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 6/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 6/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | CLK1 | P49759 | 2/20 | 0.39 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL16701393 | 0.72 | HRH4 (0.53) | KCNH2HRH4 | |
| SCHEMBL1388289 | 0.72 | DHFR (0.55) | DHFRCDK5CDK5R1CLK1 | |
| SCHEMBL29655508 | 0.72 | DHFR (0.55) | DHFRCDK5CDK5R1CLK1 | |
| SCHEMBL7714702 | 0.69 | HRH4 (0.58) | DHFRHRH4 | |
| SCHEMBL7712422 | 0.69 | STK4 (0.54) | DHFRAKT1 | |
| SCHEMBL2056103 | 0.68 | NOTUM (0.54) | DHFRHRH4 | |
| SCHEMBL764799 | 0.68 | KDM4E (0.64) | — | |
| SCHEMBL29730026 | 0.68 | DHFR (0.42) | DHFRTP53 | |
| SCHEMBL2167151 | 0.68 | HRH4 (0.61) | DHFRHRH4 | |
| SCHEMBL30610998 | 0.68 | QPCT (0.50) | DHFRHRH4RPS6KB1AKT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015069752-A9 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-07-09 | — | — | WO | disclosed |
| WO-2015069752-A1 | ACETYLCHOLINE BINDING PROTEIN LIGANDS, COOPERATIVE NACHR MODULATORS AND METHODS FOR MAKING AND USING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-05-14 | — | — | WO | disclosed |