Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | FABP3 | P05413 | 3/20 | 0.31 |
| ▸ | FABP4 | P15090 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111740 | 0.90 | STK10 (0.36) | PDK2CYP1A2TSHRFABP4 | |
| SCHEMBL25799519 | 0.88 | PDK2 (0.39) | PDK2CYP1A2TSHRCYP3A4CYP2C9 | |
| SCHEMBL16115803 | 0.87 | PDK2 (0.35) | PDK2TSHRCYP3A4 | |
| SCHEMBL24839919 | 0.85 | PDK2 (0.39) | PDK2CYP1A2TSHR | |
| SCHEMBL25261578 | 0.84 | PDK2 (0.35) | PDK2CYP1A2TSHR | |
| SCHEMBL31647670 | 0.84 | ALDH1A1 (0.36) | PDK2 | |
| SCHEMBL23137801 | 0.84 | ALDH1A1 (0.37) | PDK2CYP1A2TSHRCYP3A4CYP2C9 | |
| SCHEMBL14681457 | 0.84 | PDK2 (0.40) | PDK2 | |
| SCHEMBL15713488 | 0.82 | PDK2 (0.39) | PDK2 | |
| SCHEMBL29440305 | 0.82 | PDK2 (0.43) | PDK2FABP3FABP4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103254659-A | Thiophene dye and preparation method thereof | DONGJIN SEMICHEM CO LTD | 2013-08-21 | — | — | CN | disclosed |
| CN-103254658-A | Thiophene dye and preparation method thereof | DONGJIN SEMICHEM CO LTD | 2013-08-21 | — | — | CN | disclosed |