Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.77 |
| ▸ | HKDC1 | Q2TB90 | 3/20 | 0.77 |
| ▸ | TOP2A | P11388 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12680569 | 0.87 | HSP90AA1 (1.00) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL22056641 | 0.86 | HSP90AA1 (0.77) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL9321789 | 0.86 | HSP90AA1 (0.77) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL10748324 | 0.86 | HSP90AA1 (0.57) | HSP90AA1HKDC1TOP2ARAB9ASMN1; SMN2 | |
| SCHEMBL29883308 | 0.81 | HSP90AA1 (0.69) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL22056134 | 0.81 | HSP90AA1 (0.69) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL12680567 | 0.80 | HSP90AA1 (0.76) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL9319550 | 0.79 | HSP90AA1 (0.63) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL9320842 | 0.78 | TOP2A (0.72) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 | |
| SCHEMBL22056829 | 0.78 | TOP2A (0.72) | HSP90AA1HKDC1TOP2ARAB9AALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4777166-A | DIOL VEHICLE; HERPES VIRUS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1988-10-11 | — | — | US | claimed |
| US-4596798-A | Herpes virus | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1986-06-24 | — | — | US | claimed |
| US-5281597-A | Administering thiosemicarbazone or salt or suspension thereof to mammals | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1994-01-25 | — | — | US | disclosed |
| US-4777166-A | DIOL VEHICLE; HERPES VIRUS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1988-10-11 | — | — | US | disclosed |
| US-4739069-A | TREATMENT OF GONORRHEA, MALARIA, INFECTIONS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1988-04-19 | — | — | US | disclosed |
| US-4665173-A | ANTIMALARIAL, ANTILEUKEMIC | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY | 1987-05-12 | — | — | US | disclosed |
| US-4657903-A | Transition metal complexes of the selenium analogs of 2-acetyl- and 2-propionylpyridine thiosemicarbazones useful for treating malarial infections and leukemia | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1987-04-14 | — | — | US | disclosed |
| US-4596798-A | Herpes virus | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1986-06-24 | — | — | US | disclosed |
| US-4493930-A | BACTERICIDES, ANTIMALARIA, AND ANTIGONORRHEA AGENTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1985-01-15 | — | — | US | disclosed |
| US-4447427-A | PARTICULARLY GONORRHEA OR MALARIA | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1984-05-08 | — | — | US | disclosed |
| US-4401670-A | Method for treating gonorrhea infections with 2-acetyl- and 2-propionylpyridine thiosemicarbazones | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1983-08-30 | — | — | US | disclosed |
| US-4385055-A | 2-Acetyl-and 2-propionylpyridine thiosemicarbazones as antimalarials | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1983-05-24 | — | — | US | disclosed |
| US-4317776-A | BACTERICIDES, ANTIMALARIAL, TREATMENT OF GONORRHEA | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1982-03-02 | — | — | US | disclosed |