Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SIRT3 | Q9NTG7 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7096286 | 0.78 | ALDH1A1 (0.38) | PARP1SIRT3TDP1KDM4EMPO | |
| SCHEMBL19152160 | 0.68 | PARP1 (0.36) | PARP1SIRT3TDP1ADORA3TSHR | |
| SCHEMBL3173808 | 0.67 | INMT (0.40) | PARP1TDP1KDM4ECYP3A4CYP2C19 | |
| SCHEMBL24249640 | 0.65 | ALDH1A1 (0.35) | PARP1KDM4ECYP1A2 | |
| SCHEMBL18663431 | 0.64 | MEN1 (0.35) | PARP1KDM4ECA1 | |
| SCHEMBL3134031 | 0.64 | — | — | |
| SCHEMBL5030414 | 0.63 | FGFR1 (0.46) | PARP1SIRT3TDP1KDM4EADORA3 | |
| SCHEMBL16197154 | 0.63 | SIRT3 (0.36) | PARP1SIRT3TDP1KDM4EADORA3 | |
| SCHEMBL11007100 | 0.63 | — | — | |
| SCHEMBL28059053 | 0.63 | ALDH1A1 (0.42) | TDP1KDM4ECYP1A2CYP3A4CYP2D6 |
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-3402797-B1 | HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2020-02-19 | — | — | EP | disclosed |
| WO-2017121674-A1 | HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-07-20 | — | — | WO | disclosed |