Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 3/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8918256 | 0.90 | TDP1 (0.40) | TDP1CYP3A4CAPN9CASP3PNMT | |
| SCHEMBL8918874 | 0.81 | TDP1 (0.45) | TDP1CYP3A4CAPN9CASP3PNMT | |
| SCHEMBL7830916 | 0.75 | TDP1 (0.47) | TDP1CYP3A4CAPN9CASP3ALDH1A1 | |
| SCHEMBL7816525 | 0.72 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL7826686 | 0.71 | TDP1 (0.43) | TDP1CYP3A4CAPN9CASP3PNMT | |
| SCHEMBL8918252 | 0.70 | TDP2 (0.46) | TDP1CYP3A4CAPN9CASP3ALDH1A1 | |
| SCHEMBL29546694 | 0.70 | TDP1 (0.59) | TDP1CYP3A4CAPN9CASP3ALDH1A1 | |
| SCHEMBL7816299 | 0.70 | TDP1 (0.59) | TDP1CYP3A4CAPN9CASP3ALDH1A1 | |
| SCHEMBL8920374 | 0.69 | KMT2A (0.36) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL9091625 | 0.69 | TDP1 (0.38) | TDP1CYP3A4CAPN9CASP3PNMT |
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 |