Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 4/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 8/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3680102 | 0.82 | CHRM3 (0.42) | CHRM3LMNAHPGDKDM4EALDH1A1 | |
| SCHEMBL30440192 | 0.82 | CHRM3 (0.52) | CHRM3NTRK1LMNAHPGDALDH1A1 | |
| SCHEMBL2787276 | 0.82 | CHRM3 (0.52) | CHRM3NTRK1LMNAHPGDALDH1A1 | |
| SCHEMBL14199102 | 0.75 | MAPT (0.51) | LMNAHPGDKDM4EALDH1A1MAPT | |
| SCHEMBL15567873 | 0.73 | ALDH1A1 (0.54) | CHRM3NTRK1TP53ALDH1A1 | |
| SCHEMBL29445416 | 0.72 | SMN1; SMN2 (0.48) | CHRM3LMNAHPGDKDM4EALDH1A1 | |
| SCHEMBL28709004 | 0.72 | SMN1; SMN2 (0.48) | CHRM3LMNAHPGDKDM4EALDH1A1 | |
| SCHEMBL14404778 | 0.72 | CHRM3 (0.53) | CHRM3HPGDTP53KDM4EALDH1A1 | |
| SCHEMBL13281948 | 0.71 | ROCK1 (0.44) | CHRM3LMNAHPGDKDM4EALDH1A1 | |
| SCHEMBL12365173 | 0.71 | MCL1 (0.40) | — |
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-2001299-A2 | FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS | Bayer CropScience Aktiengesellschaft (DE) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110173-A2 | FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS | BAYER CROPSCIENCE AG (DE) | 2007-10-04 | — | — | WO | disclosed |