Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPOX | P50336 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | TGM2 | P21980 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL8920969 | 0.87 | AKR1A1 (0.37) | PPOXF7PARP1F3PARP10 | |
| SCHEMBL8918851 | 0.78 | PPOX (0.32) | PPOX | |
| SCHEMBL8918901 | 0.77 | ALDH1A1 (0.39) | LRRK2PDE7AAKR1A1AKR1B1PDK2 | |
| SCHEMBL8921171 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL8921046 | 0.74 | MAOA (0.46) | AKR1B1PDK2 | |
| SCHEMBL8919771 | 0.71 | PDE7A (0.33) | MAP3K14PDE7A | |
| SCHEMBL7827289 | 0.70 | PPOX (0.39) | PPOXF7PARP1F3PARP10 | |
| SCHEMBL8919799 | 0.69 | NSD2 (0.35) | CES1TGM2PDE7A | |
| SCHEMBL8920932 | 0.68 | PDE7A (0.38) | LRRK2PDE7AAKR1B1PDK2 | |
| SCHEMBL8917662 | 0.68 | CES1 (0.34) | CES1TGM2PDE7APDK2AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0679640-A1 | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-11-02 | — | — | EP | disclosed |