Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL11783489 | 1.00 | KCNH2 (0.49) | KCNH2TDP1CYP3A4ALDH1A1HTT | |
| SCHEMBL6549530 | 0.98 | TDP1 (0.50) | KCNH2TDP1CYP3A4ALDH1A1HTT | |
| SCHEMBL7921397 | 0.94 | TDP1 (0.51) | TDP1CYP3A4ALDH1A1HTTPOLB | |
| SCHEMBL16497028 | 0.89 | CYP3A4 (0.50) | KCNH2TDP1CYP3A4ALDH1A1HTT | |
| SCHEMBL7122749 | 0.87 | TDP1 (0.55) | TDP1CYP3A4ALDH1A1HTTPOLB | |
| SCHEMBL22271648 | 0.84 | ALDH1A1 (0.52) | KCNH2TDP1ALDH1A1HTTPOLB | |
| SCHEMBL8398671 | 0.83 | TDP1 (0.49) | KCNH2TDP1CYP3A4ALDH1A1HTT | |
| SCHEMBL28026694 | 0.83 | TDP1 (0.49) | KCNH2TDP1CYP3A4ALDH1A1HTT | |
| SCHEMBL11509569 | 0.83 | ALDH1A1 (0.65) | KCNH2TDP1ALDH1A1TSHRCYP19A1 | |
| SCHEMBL2566274 | 0.83 | CYP3A4 (0.53) | TDP1CYP3A4ALDH1A1HTTPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010097815-A2 | A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2010-09-02 | — | — | WO | disclosed |