Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | ATF1 | P18846 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MTTP | P55157 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL402751 | 0.96 | NTRK1 (0.40) | NTRK1NTRK2PLK1NFKB1ATF1 | |
| SCHEMBL401200 | 0.95 | NTRK1 (0.40) | NTRK1NTRK2PLK1NFKB1ATF1 | |
| SCHEMBL402835 | 0.95 | NTRK1 (0.40) | NTRK1NTRK2PLK1NFKB1ATF1 | |
| SCHEMBL403797 | 0.95 | NTRK1 (0.40) | NTRK1NTRK2PLK1NFKB1ATF1 | |
| SCHEMBL403346 | 0.95 | NTRK1 (0.42) | NTRK1NTRK2PLK1MTTPPPARG | |
| SCHEMBL402008 | 0.93 | NTRK1 (0.41) | NTRK1NTRK2PLK1NFKB1ATF1 | |
| SCHEMBL5316686 | 0.93 | NTRK1 (0.42) | NTRK1NTRK2PLK1MTTPPPARG | |
| SCHEMBL401854 | 0.92 | NTRK1 (0.40) | NTRK1NTRK2PLK1NFKB1ATF1 | |
| SCHEMBL402750 | 0.91 | NTRK1 (0.40) | NTRK1NTRK2PLK1MTTPPPARG | |
| SCHEMBL400959 | 0.91 | NTRK1 (0.40) | NTRK1NTRK2PLK1MTTPPPARG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |