Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL8917667 | 0.78 | CRHBP (0.33) | — | |
| SCHEMBL8919799 | 0.75 | NSD2 (0.35) | CES1PDE7ATGM2 | |
| SCHEMBL8919166 | 0.74 | PDK2 (0.39) | PDK2 | |
| SCHEMBL8917731 | 0.74 | SLC6A2 (0.34) | — | |
| SCHEMBL7828048 | 0.70 | CES1 (0.33) | CES1PDK2 | |
| SCHEMBL8920969 | 0.68 | AKR1A1 (0.37) | CES1PDE7APDK2AKR1C3 | |
| SCHEMBL7826961 | 0.66 | NLRP3 (0.32) | — | |
| SCHEMBL8922231 | 0.61 | KMT2A (0.33) | PDK2 | |
| SCHEMBL8920309 | 0.61 | PARP1 (0.35) | PDK2 | |
| SCHEMBL7828007 | 0.60 | CES1 (0.38) | CES1PDK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691272-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5559247-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-09-24 | — | — | US | disclosed |
| CN-1114431-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS (JP) | 1996-01-03 | — | — | CN | disclosed |
| EP-0679640-A1 | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-11-02 | — | — | EP | disclosed |