Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 6/20 | 0.43 |
| ▸ | CPA1 | P15085 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27516099 | 0.96 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL8364947 | 0.94 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27963324 | 0.94 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL18425261 | 0.91 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27870901 | 0.91 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27511572 | 0.91 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL11783673 | 0.91 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL30195537 | 0.91 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL31532238 | 0.91 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL9798368 | 0.86 | TDP1 (0.48) | CYP3A4TDP1ESR1ESR2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011003029-A2 | CATALYTIC DISPROPORTIONATION AND CATALYTIC REDUCTION OF CARBON-CARBON AND CARBON-OXYGEN BONDS OF LIGNIN AND OTHER ORGANIC SUBSTRATES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-01-06 | — | — | WO | disclosed |
| US-H918-H | DECARBONYLATION AND DEHYDROGENATION OF CARBOHYDRATES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1991-05-07 | — | — | US | disclosed |