Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.37 |
| ▸ | AKT1S1 | Q96B36 | 7/20 | 0.36 |
| ▸ | BRD4 | O60885 | 5/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL15719376 | 0.78 | AKT1S1 (0.51) | HTR2CAKT1S1HTT | |
| SCHEMBL22307580 | 0.77 | AKT1 (0.50) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22308403 | 0.77 | AKT1 (0.50) | CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL15719385 | 0.76 | AKT1S1 (0.50) | HTR2CAKT1S1HTT | |
| SCHEMBL22308710 | 0.72 | AKT1 (0.50) | HTR2CHTT | |
| SCHEMBL30020844 | 0.72 | AKT1 (0.50) | HTR2CHTT | |
| SCHEMBL27747153 | 0.71 | HTR2C (0.40) | HTR2CHTTMEN1CYP1A2CYP3A4 | |
| SCHEMBL2799766 | 0.71 | HTR2C (0.41) | HTR2CHTTMEN1CYP1A2CYP3A4 | |
| SCHEMBL13686448 | 0.71 | HTR2C (0.41) | HTR2CHTTMEN1CYP1A2CYP3A4 | |
| SCHEMBL22308124 | 0.70 | AKT1 (0.51) | HTR2CHTTMEN1CYP1A2CYP3A4 |
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-9580443-B2 | Heterocyclic derivatives as modulators of kinase activity | MERCK PATENT GMBH (DE) | 2017-02-28 | — | — | US | disclosed |