Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.40 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PPOX | P50336 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL9994877 | 0.92 | PIN1 (0.45) | PIN1MMP8TP53SLC22A12POLB | |
| SCHEMBL1463530 | 0.78 | PIN1 (0.44) | PIN1MMP8TP53POLBNPSR1 | |
| SCHEMBL1463630 | 0.75 | POLB (0.43) | PIN1MMP8TP53POLBNPSR1 | |
| SCHEMBL9987827 | 0.74 | SLC22A12 (0.45) | TP53SLC22A12 | |
| SCHEMBL9987803 | 0.72 | TP53 (0.49) | PIN1MMP8TP53SLC22A12PPOX | |
| SCHEMBL1464689 | 0.71 | PIN1 (0.50) | PIN1MMP8TP53POLBNPSR1 | |
| SCHEMBL9995022 | 0.71 | SLC22A12 (0.51) | SLC22A12PPARA | |
| SCHEMBL1691530 | 0.70 | TP53 (0.39) | PIN1MMP8TP53POLBNPSR1 | |
| SCHEMBL3903094 | 0.69 | CA12 (0.44) | PIN1MMP8TP53POLBNPSR1 | |
| SCHEMBL9993826 | 0.69 | SLC22A12 (0.50) | SLC22A12ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102939279-A | Phenylthioacetate compounds, compositions and methods of use | ARDEA BIOSCIENCES INC | 2013-02-20 | — | — | CN | disclosed |