Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL8365288 | 0.88 | CYP1A2 (0.47) | TSHRCYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL8091014 | 0.82 | TDP1 (0.44) | TSHRCYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL8415105 | 0.77 | TSHR (0.50) | TSHRCYP1A2TDP1MAPTALDH1A1 | |
| SCHEMBL9121102 | 0.75 | CYP1A2 (0.57) | TSHRCYP1A2TDP1MAPTALDH1A1 | |
| SCHEMBL11042004 | 0.72 | TDP1 (0.37) | TSHRTDP1L3MBTL1MAPTALDH1A1 | |
| SCHEMBL9514738 | 0.71 | CYP1A2 (0.49) | TSHRCYP1A2TDP1L3MBTL1MAPT | |
| SCHEMBL11517162 | 0.71 | ALDH1A1 (0.32) | TSHRTDP1ALDH1A1 | |
| SCHEMBL28420852 | 0.71 | ALDH1A1 (0.54) | TSHRCYP1A2TDP1ALDH1A1CYP3A4 | |
| SCHEMBL7527476 | 0.71 | CYP1A2 (0.52) | TSHRCYP1A2TDP1MAPTALDH1A1 | |
| SCHEMBL225443 | 0.71 | ALDH1A1 (0.48) | TSHRCYP1A2TDP1L3MBTL1MAPT |
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-4451681-A | Methods of preparing pentanitrotoluene | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-05-29 | — | — | US | disclosed |