Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.68 |
| ▸ | CES2 | O00748 | 2/20 | 0.68 |
| ▸ | FNTA | P49354 | 1/20 | 0.52 |
| ▸ | FNTB | P49356 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28577864 | 0.79 | CES1 (0.54) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL4642302 | 0.79 | POLB (0.48) | CES1CES2CNR2CNR1TDP1 | |
| Phenylpyruvate SCHEMBL27787637 | 0.79 | CES1 (0.73) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL43235 | 0.78 | CES1 (0.80) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL28203540 | 0.78 | CES1 (0.80) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL574185 | 0.78 | CES1 (1.00) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL451546 | 0.78 | CES1 (0.64) | CES1CES2FNTAFNTBAKR1B1 | |
| SCHEMBL4641484 | 0.78 | TDP1 (0.47) | CES1CES2CNR2CNR1TDP1 | |
| Phenylpyruvate SCHEMBL11193388 | 0.76 | CES1 (0.76) | CES1CES2FNTAFNTBAKR1B1 | |
| Phenylpyruvate SCHEMBL468389 | 0.76 | CES1 (0.76) | CES1CES2FNTAFNTBAKR1B1 |
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-0376197-B1 | Sulfur-containing heterocyclic compounds | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-10-12 | — | — | EP | disclosed |
| US-5071841-A | For prevention of bone reabsorption | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-12-10 | — | — | US | disclosed |
| EP-0376197-A1 | Sulfur-containing heterocyclic compounds | Takeda Chemical Industries, Ltd. (JP) | 1990-07-04 | — | — | EP | disclosed |