Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21995465 | 0.85 | PDE2A (0.38) | CYP3A4TSHRMAPK1TDP1CYP2D6 | |
| SCHEMBL21995428 | 0.84 | PRKAB2 (0.34) | CYP3A4TSHRMAPK1TDP1MGLL | |
| SCHEMBL21995301 | 0.70 | TSHR (0.60) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL24818354 | 0.67 | SLC6A2 (0.32) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL28994461 | 0.67 | TRPV4 (0.46) | MAPK1 | |
| SCHEMBL30685542 | 0.67 | SLC6A2 (0.32) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL24817067 | 0.67 | SLC6A2 (0.35) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL21995414 | 0.66 | CYP3A4 (0.39) | CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL21994335 | 0.66 | HDAC4 (0.32) | — | |
| SCHEMBL13002319 | 0.65 | NOTUM (0.35) | MGLLCYP2D6SLC6A2SLC6A4SLC6A3 |
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-3887362-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | Bayer Aktiengesellschaft (DE) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020109391-A1 | PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-06-04 | — | — | WO | disclosed |