Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795862 | 0.82 | PARP1 (0.48) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL8444352 | 0.82 | HPGD (0.50) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL13678534 | 0.80 | PARP1 (0.52) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL20863280 | 0.80 | MAPT (0.33) | TDP1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9845816 | 0.80 | PARP1 (0.47) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL23998411 | 0.77 | PARP1 (0.44) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL17868855 | 0.77 | PARP1 (0.44) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL1793374 | 0.76 | PARP1 (0.56) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL6900529 | 0.76 | PARP1 (0.57) | PARP1HPGDTDP1HDAC8HDAC6 | |
| SCHEMBL22472284 | 0.76 | HPGD (0.45) | PARP1HPGDTDP1HDAC8HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3904350-B1 | N-(CYCLOPROPYLMETHYL)-5-(METHYLSULFONYL)-N-{1-[1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]ETHYL}BENZAMIDE DERIVATIVES AND THE CORRESPONDING PYRIDINE-CARBOXAMIDE DERIVATIVES AS PESTICIDES | BAYER AG (DE) | 2023-08-23 | — | — | EP | disclosed |