Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 7/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | KCNN1 | Q92952 | 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 SCHEMBL29254212 | 0.96 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL28345062 | 0.96 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL7593901 | 0.96 | TDP1 (0.52) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL9798368 | 0.92 | TDP1 (0.48) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL8364947 | 0.86 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27963324 | 0.86 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL18425261 | 0.84 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2CES1 | |
| SCHEMBL28891740 | 0.84 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL11783673 | 0.84 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL30195537 | 0.84 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873289-B1 | PROCESS FOR CATALYTIC ADDITION OF NUCLEOPHILES TO ALKINES OR ALLENES | BASF AG (DE) | 2000-05-03 | — | — | EP | disclosed |
| US-6037482-A | USING GOLD COMPLEX CATALYST FOR NUCLEOPHILIC ADDITION REACTION OF WATER OR ALCOHOL OR CARBOXYLIC ACID WITH ALKYNESOR ALLENES TO FORM NULCEOPHILE SUBSTITUTED ALKENES | BASF AKTIENGESELLSCHAFT (DE) | 2000-03-14 | — | — | US | disclosed |