Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 7/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL15957606 | 0.97 | TDP1 (0.50) | TDP1ALDH1A1TSHRPKMHSD17B10 | |
| SCHEMBL13199105 | 0.93 | TDP1 (0.48) | TDP1ALDH1A1TSHRPKMHSD17B10 | |
| SCHEMBL4927428 | 0.90 | TDP1 (0.50) | TDP1ALDH1A1TSHRPKMHSD17B10 | |
| SCHEMBL29674859 | 0.87 | TDP1 (0.48) | TDP1ALDH1A1TSHRPKMHSD17B10 | |
| SCHEMBL6512240 | 0.87 | TDP1 (0.48) | TDP1ALDH1A1TSHRPKMHSD17B10 | |
| SCHEMBL11040935 | 0.84 | PKM (0.39) | TDP1ALDH1A1TSHRPKMKMT2A | |
| SCHEMBL11040704 | 0.83 | PKM (0.42) | TDP1ALDH1A1TSHRPKMKMT2A | |
| SCHEMBL7592620 | 0.83 | TDP1 (0.50) | TDP1ALDH1A1TSHRPKMHSD17B10 | |
| SCHEMBL1194020 | 0.82 | TSHR (0.45) | TDP1ALDH1A1TSHRPKMHSD17B10 | |
| SCHEMBL28759906 | 0.81 | TSHR (0.50) | TDP1ALDH1A1TSHRPKMSMN1; SMN2 |
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 6 patents. 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 | claimed |
| 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 |
| 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 |
| 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 |
| US-4426539-A | Synthesis of the isomeric aminotetranitrotoluenes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-01-17 | — | — | US | disclosed |
| US-4426539-A | Synthesis of the isomeric aminotetranitrotoluenes | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-01-17 | — | — | US | disclosed |