Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4026261 | 0.81 | TSHR (0.41) | TSHRCYP2C19SSTR4HDAC3HDAC1 | |
| SCHEMBL20556837 | 0.80 | MIF (0.48) | TSHRCYP2C19CYP3A4POLBPPARA | |
| SCHEMBL1626113 | 0.80 | MIF (0.48) | TSHRCYP2C19CYP3A4POLBPPARA | |
| Hydrochloric Acid SCHEMBL8663111 | 0.79 | MIF (0.47) | TSHRCYP2C19CYP3A4POLBPPARA | |
| SCHEMBL1626481 | 0.78 | AKR1C3 (0.51) | TSHRCYP2C19SSTR4HDAC3HDAC1 | |
| SCHEMBL27896997 | 0.78 | MEN1 (0.58) | TSHRCYP2C19CYP3A4SSTR4HDAC3 | |
| SCHEMBL1626970 | 0.78 | SCN5A (0.46) | CYP2C19KIF11CYP1A2 | |
| SCHEMBL2348384 | 0.77 | TSHR (0.47) | TSHRCYP2C19SSTR4HDAC3HDAC1 | |
| SCHEMBL8494650 | 0.76 | SMN1; SMN2 (0.47) | HDAC3HDAC1HDAC2HDAC6MEN1 | |
| SCHEMBL29949091 | 0.75 | CYP1A2 (0.53) | TSHRCYP2C19SSTR4HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006013399-A1 | PHARMACEUTICAL INTERMEDIATES AND A PROCESS FOR THE PREPARATION THEREOF | EGIS Gyógyszergyár Rt. (HU) | 2006-02-09 | — | — | WO | disclosed |