Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 7/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL7236296 | 0.85 | SIGMAR1 (0.37) | CYP17A1ALDH1A1 | |
| SCHEMBL7231652 | 0.85 | SIGMAR1 (0.37) | CYP17A1ALDH1A1 | |
| SCHEMBL5906217 | 0.80 | MET (0.41) | CYP17A1KCNK3ALDH1A1KDM4EGAA | |
| SCHEMBL5906314 | 0.68 | SIGMAR1 (0.39) | PDE2A | |
| SCHEMBL5906281 | 0.68 | ATM (0.40) | — | |
| SCHEMBL5906019 | 0.65 | OPRM1 (0.39) | MAPK1MAPT | |
| SCHEMBL5906067 | 0.64 | IDO1 (0.41) | IDO1ALDH1A1HTTTSHRKMT2A | |
| SCHEMBL7240856 | 0.64 | FAAH (0.44) | MAPK1ALDH1A1 | |
| SCHEMBL5906391 | 0.64 | PKM (0.46) | IDO1ALDH1A1MAPTHTTKDM4E | |
| SCHEMBL7778841 | 0.63 | MEN1 (0.47) | ALDH1A1MAPTHTTKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144392-A1 | NOVEL TETRAZOLINONE DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000040568-A1 | NOVEL TETRAZOLINONE DERIVATIVES | NIHON BAYER AGROCHEM K.K. (DE) | 2000-07-13 | — | — | WO | disclosed |