Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | POLQ | O75417 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL120557 | 0.86 | TDP1 (0.69) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| SCHEMBL1901390 | 0.82 | TDP1 (0.70) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| Pirimiphos Methyl SCHEMBL7081499 | 0.79 | TDP1 (0.71) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| Pirimiphos-Ethyl SCHEMBL5266465 | 0.76 | TDP1 (0.66) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| SCHEMBL500245 | 0.72 | TDP1 (0.43) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| Pirimiphos Methyl SCHEMBL21357930 | 0.70 | TDP1 (0.68) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| SCHEMBL8976690 | 0.69 | TDP1 (0.59) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| SCHEMBL10109500 | 0.69 | TDP1 (0.67) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| Propane SCHEMBL10919258 | 0.68 | TDP1 (0.61) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 | |
| Pyrimitate SCHEMBL7870561 | 0.68 | TDP1 (0.68) | TDP1ALDH1A1TSHRCYP3A4HSD17B10 |
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-20100168030-A1 | Methods and compositions for treatment of organophosphate-caused pathology | ARMY, UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE | 2010-07-01 | — | — | US | disclosed |