Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 10/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.38 |
| ▸ | AR | P10275 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25009887 | 0.84 | ESR1 (0.36) | CYP3A4MAPK1ESR1ESR2AR | |
| SCHEMBL11891675 | 0.83 | NOS3 (0.40) | CYP3A4NOS3NOS2 | |
| SCHEMBL21981883 | 0.81 | ESR1 (0.40) | MAPK1ESR1ESR2ARTRPA1 | |
| SCHEMBL5195607 | 0.79 | TRPA1 (0.41) | ESR1ESR2ARTRPA1NOS3 | |
| SCHEMBL19932128 | 0.79 | NOS3 (0.38) | CYP3A4MAPK1NOS3NOS2HTR2B | |
| SCHEMBL2321269 | 0.79 | HTR1D (0.46) | ESR1ESR2ARTRPA1NOS3 | |
| SCHEMBL27695109 | 0.79 | CYP3A4 (0.54) | CYP3A4MAPK1ESR1ESR2AR | |
| SCHEMBL19003090 | 0.76 | SIRT1 (0.40) | CYP3A4MAPK1ESR1ESR2AR | |
| SCHEMBL2423001 | 0.76 | NOS3 (0.44) | ESR1ESR2ARTRPA1NOS3 | |
| SCHEMBL20326196 | 0.76 | CYP3A4 (0.39) | CYP3A4MAPK1ESR1ESR2TRPA1 |
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-9125939-B2 | Carbostyril derivatives and mood stabilizers for treating mood disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-09-08 | — | — | US | disclosed |