Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11040704 | 0.95 | PKM (0.42) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL8151295 | 0.90 | PKM (0.42) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL3876185 | 0.88 | PKM (0.41) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL8358007 | 0.86 | PKM (0.39) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL29242779 | 0.85 | PKM (0.42) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL9514735 | 0.85 | PKM (0.42) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL7861184 | 0.84 | ALDH1A1 (0.39) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL11041007 | 0.84 | TDP1 (0.48) | PKMALDH1A1TDP1TSHRKMT2A | |
| SCHEMBL29232798 | 0.82 | ALDH1A1 (0.40) | PKMALDH1A1TDP1TSHRHTT | |
| SCHEMBL15957606 | 0.82 | TDP1 (0.50) | PKMALDH1A1TDP1TSHRKMT2A |
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-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 | 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-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 |