Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17515003 | 0.82 | IDO1 (0.36) | IDO1TDO2CES2SLC6A4SLC7A5 | |
| SCHEMBL28932418 | 0.79 | IDO1 (0.47) | IDO1TDO2PNMTACP3CES2 | |
| SCHEMBL17514928 | 0.79 | SLC6A4 (0.32) | ACP3MEN1KMT2ASLC6A4SLC6A2 | |
| SCHEMBL17514946 | 0.74 | — | — | |
| SCHEMBL694411 | 0.74 | PPARG (0.46) | IDO1TDO2PNMTACP3CES2 | |
| SCHEMBL17514988 | 0.72 | IDO1 (0.32) | IDO1TDO2SMN1; SMN2 | |
| SCHEMBL17514722 | 0.71 | SLC6A2 (0.32) | SLC6A4SLC6A2 | |
| SCHEMBL17514598 | 0.71 | SLC6A4 (0.39) | PPARGSLC6A4SLC6A2PPARA | |
| SCHEMBL17514860 | 0.71 | — | — | |
| SCHEMBL10543445 | 0.70 | PNMT (0.41) | IDO1TDO2PNMTACP3CES2 |
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-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |