Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | ESR1 | P03372 | 4/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL15511191 | 0.97 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphonic Acid SCHEMBL15511192 | 0.97 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphonic Acid SCHEMBL15510586 | 0.97 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphonic Acid SCHEMBL15510587 | 0.97 | TDP1 (0.63) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphonic Acid SCHEMBL28820202 | 0.95 | CYP3A4 (0.60) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Acetic Acid SCHEMBL15511068 | 0.91 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphonic Acid SCHEMBL15511198 | 0.91 | TDP1 (0.55) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Sulfuric Acid SCHEMBL15511079 | 0.91 | TDP1 (0.55) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL4944650 | 0.90 | CYP3A4 (0.60) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphonic Acid SCHEMBL15572407 | 0.87 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001096349-A1 | WATER SOLUBLE PHOSPHINES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2001-12-20 | — | — | WO | disclosed |