Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 3/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9091625 | 0.93 | TDP1 (0.38) | CYP3A4TDP1TDP2CAPN9CASP3 | |
| SCHEMBL8920380 | 0.91 | TDP2 (0.38) | CYP3A4TDP1TDP2CAPN9CASP3 | |
| SCHEMBL8919771 | 0.79 | PDE7A (0.33) | — | |
| SCHEMBL8918874 | 0.75 | TDP1 (0.45) | CYP3A4TDP1TDP2CAPN9CASP3 | |
| SCHEMBL8918907 | 0.71 | — | — | |
| SCHEMBL7830916 | 0.69 | TDP1 (0.47) | CYP3A4TDP1TDP2CAPN9CASP3 | |
| SCHEMBL8918880 | 0.68 | TDP1 (0.40) | CYP3A4TDP1TDP2CAPN9CASP3 | |
| SCHEMBL8918252 | 0.67 | TDP2 (0.46) | CYP3A4TDP1TDP2CAPN9CASP3 | |
| SCHEMBL29546694 | 0.67 | TDP1 (0.59) | CYP3A4TDP1TDP2CAPN9CASP3 | |
| SCHEMBL7816299 | 0.67 | TDP1 (0.59) | CYP3A4TDP1TDP2CAPN9CASP3 |
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 |