Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 10/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8100124 | 0.82 | SMN1; SMN2 (0.45) | HTR5ACYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL8100298 | 0.82 | HTR5A (0.41) | HTR5AMCL1TDP1GSK3AGSK3B | |
| SCHEMBL7061200 | 0.70 | HTR5A (0.47) | HTR5AMCL1TDP1TRPV1 | |
| SCHEMBL6603431 | 0.69 | HCAR1 (0.48) | TDP1 | |
| SCHEMBL28760463 | 0.68 | HTR5A (0.51) | HTR5AMCL1TDP1TRPV1ESR1 | |
| SCHEMBL13330266 | 0.67 | MEN1 (0.54) | HTR5AMCL1TRPV1CYP17A1CYP3A4 | |
| SCHEMBL6306922 | 0.66 | HTR5A (0.68) | HTR5AMCL1 | |
| SCHEMBL8593864 | 0.66 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL6600347 | 0.65 | MALT1 (0.35) | GSK3AGSK3B | |
| SCHEMBL8554066 | 0.65 | TRPA1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6096895-A | Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-08-01 | — | — | US | disclosed |
| EP-0825992-A1 | FUNGICIDAL CYCLIC AMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-03-04 | — | — | EP | disclosed |
| WO-1996036633-A1 | FUNGICIDAL CYCLIC AMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-11-21 | — | — | WO | disclosed |