Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.32 |
| ▸ | CPA1 | P15085 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7593901 | 0.92 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL8055878 | 0.92 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL28345062 | 0.92 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL29254212 | 0.92 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL1081998 | 0.86 | CYP3A4 (0.50) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL8364947 | 0.83 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27963324 | 0.83 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL18425261 | 0.81 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2CES1 | |
| SCHEMBL28891740 | 0.81 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL30195537 | 0.81 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5012008-A | Supported amorphous phase heterogeneous catalysts for biphasic hydroformylation | DRAGO RUSSELL S (US) | 1991-04-30 | — | — | US | disclosed |