Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL372344 | 0.95 | PCSK9 (0.34) | PCSK9TDP1TSHRLTA4HSMN1; SMN2 | |
| SCHEMBL7861169 | 0.91 | PCSK9 (0.30) | PCSK9 | |
| Hydrochloric Acid SCHEMBL2335416 | 0.89 | — | — | |
| SCHEMBL6659978 | 0.89 | ESR1 (0.32) | TDP1ESR1ESR2CYP3A4 | |
| SCHEMBL49617 | 0.88 | TDP1 (0.38) | PCSK9TDP1TSHRLTA4HPTGS2 | |
| Hydrochloric Acid SCHEMBL28975804 | 0.86 | TDP1 (0.37) | PCSK9TDP1TSHRLTA4HPTGS2 | |
| Bromide SCHEMBL1577209 | 0.86 | TDP1 (0.37) | PCSK9TDP1TSHRLTA4HPTGS2 | |
| SCHEMBL30514704 | 0.86 | TDP1 (0.37) | PCSK9TDP1TSHRLTA4HPTGS2 | |
| SCHEMBL9414101 | 0.86 | TDP1 (0.37) | PCSK9TDP1TSHRLTA4HPTGS2 | |
| SCHEMBL10585317 | 0.86 | TDP1 (0.37) | PCSK9TDP1TSHRLTA4HPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049496-A2 | 3-DIFLUOROMETHYLPYRAZOLYLCARBOXANILIDES | Bayer CropScience AG (DE) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008014905-A2 | 3-DIFLUOROMETHYLPYRAZOLYLCARBOXANILIDES | BAYER CROPSCIENCE AG (DE) | 2008-02-07 | — | — | WO | disclosed |
| EP-0718265-A2 | Method for producing an alcohol | RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) | 1996-06-26 | — | — | EP | disclosed |