Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14482311 | 1.00 | HPGD (0.49) | HPGDKMT2AKDM4EMAPTNPSR1 | |
| SCHEMBL14482310 | 1.00 | HPGD (0.49) | HPGDKMT2AKDM4EMAPTNPSR1 | |
| SCHEMBL11712593 | 0.84 | CHRNA7 (0.46) | HPGDKMT2AMAPTNPSR1GAA | |
| SCHEMBL11713719 | 0.82 | KMT2A (0.54) | HPGDKMT2AKDM4EMAPTMEN1 | |
| SCHEMBL5077776 | 0.80 | HPGD (0.47) | HPGDKMT2AGAAMEN1CYP1A2 | |
| SCHEMBL11718487 | 0.79 | NPC1 (0.45) | HPGDKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL6906944 | 0.77 | TSHR (0.51) | HPGDKMT2AGAAMEN1CYP2C19 | |
| SCHEMBL1072709 | 0.75 | ALDH1A1 (0.54) | HPGDKMT2AKDM4EMAPTNPSR1 | |
| SCHEMBL26802536 | 0.75 | ALDH1A1 (0.54) | HPGDKMT2AKDM4EMAPTNPSR1 | |
| SCHEMBL136736 | 0.73 | ALDH1A1 (0.42) | HPGDKMT2ANPSR1MEN1ALDH1A1 |
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-4029646-A | Benzyl N,N-hexamethylenethiolcarbamate compounds and herbicidal compositions | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-14 | — | — | US | claimed |
| US-4029646-A | Benzyl N,N-hexamethylenethiolcarbamate compounds and herbicidal compositions | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-14 | — | — | US | disclosed |
| US-4005071-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-25 | — | — | US | disclosed |