Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 7/20 | 0.48 |
| ▸ | CPA1 | P15085 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 SCHEMBL8364947 | 1.00 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27516099 | 0.98 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27511572 | 0.98 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL30195537 | 0.98 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL11783673 | 0.98 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL27870901 | 0.98 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL18425261 | 0.98 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL31532238 | 0.98 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CES1 | |
| Trifluoroacetic Acid SCHEMBL1081998 | 0.94 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2CES1 | |
| SCHEMBL28891740 | 0.88 | CYP3A4 (0.55) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105377265-A | Compositions and methods for treating conditions that affect epidermis | GENCIA CORP | 2016-03-02 | — | — | CN | claimed |
| CN-103889993-B | The creatine compound of modification | 吉奇亚公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-103889993-A | Modified creatine compounds | GENCIA CORP | 2014-06-25 | — | — | CN | disclosed |