Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17468965 | 0.83 | NAAA (0.38) | TDP1MAPK1ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL901332 | 0.83 | CYP19A1 (0.49) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL113763 | 0.83 | CYP19A1 (0.49) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL9742600 | 0.82 | CYP19A1 (0.42) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL27878050 | 0.81 | CYP19A1 (0.41) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL25445590 | 0.79 | CYP19A1 (0.50) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL5907632 | 0.79 | CYP19A1 (0.50) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL126952 | 0.79 | NAAA (0.50) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL28572438 | 0.79 | NAAA (0.50) | CYP19A1CA12CA1CA2CA9 | |
| SCHEMBL28297151 | 0.78 | CYP19A1 (0.40) | CYP19A1CA12CA1CA2CA9 |
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-2016012362-A1 | SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | WO | disclosed |