Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.43 |
| ▸ | APLNR | P35414 | 1/20 | 0.43 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14815594 | 0.87 | LMNA (0.53) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| SCHEMBL397421 | 0.85 | MAPT (0.49) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| SCHEMBL9847272 | 0.83 | NPC1 (0.47) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| SCHEMBL30262404 | 0.83 | ADRA2A (0.44) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| SCHEMBL14659418 | 0.83 | ADRA2A (0.44) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| SCHEMBL28062195 | 0.82 | GAA (0.45) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| Ammonia Solution, Strong SCHEMBL7429890 | 0.81 | ADRA2A (0.45) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| Formamide SCHEMBL28333185 | 0.78 | SLC2A1 (0.46) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| SCHEMBL31340065 | 0.78 | ADRA2A (0.46) | CYP1A2GAAMAPTALDH1A1RAB9A | |
| SCHEMBL31340046 | 0.78 | ADRA2A (0.46) | CYP1A2GAAMAPTALDH1A1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170191986-A1 | Compounds and Method of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators | HMI Medical Innovations, LLC | 2017-07-06 | — | — | US | disclosed |