Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 2/20 | 0.42 |
| ▸ | FNTA | P49354 | 2/20 | 0.42 |
| ▸ | FNTB | P49356 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | C1S | P09871 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL448700 | 0.81 | CES2 (0.68) | CES2CES1TSHRFNTAFNTB | |
| SCHEMBL451546 | 0.79 | CES1 (0.64) | CES2CES1TSHRFNTAFNTB | |
| Phenylpyruvate SCHEMBL27787637 | 0.77 | CES1 (0.73) | CES2CES1TSHRF2FNTA | |
| Phenylpyruvate SCHEMBL43235 | 0.77 | CES1 (0.80) | CES2CES1TSHRF2FNTA | |
| Phenylpyruvate SCHEMBL28203540 | 0.77 | CES1 (0.80) | CES2CES1TSHRF2FNTA | |
| Phenylpyruvate SCHEMBL8150675 | 0.75 | CES1 (0.70) | CES2CES1TSHRF2FNTA | |
| Phenylpyruvate SCHEMBL3408866 | 0.75 | CES1 (0.76) | CES2CES1TSHRF2FNTA | |
| Phenylpyruvate SCHEMBL11193388 | 0.75 | CES1 (0.76) | CES2CES1TSHRF2FNTA | |
| Phenylpyruvate SCHEMBL9217988 | 0.75 | CES1 (0.76) | CES2CES1F2FNTAFNTB | |
| Phenylpyruvate SCHEMBL468389 | 0.75 | CES1 (0.76) | CES2CES1TSHRF2FNTA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991008009-A1 | DIALYSIS AND FLUSHING SOLUTION FOR INTRAPERITONEAL ADMINISTRATION | NEPHRO-MEDICA PHARMAZEUTISCHE VERTRIEBSGESELLSCHAFT MBH (DE) | 1991-06-13 | — | — | WO | disclosed |