Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10970170 | 0.87 | CYP3A4 (0.47) | ALDH1A1POLBGAAKMT2ARAB9A | |
| SCHEMBL10972225 | 0.85 | KDM4E (0.60) | KMT2AGPBAR1KDM4EMEN1CYP1A2 | |
| SCHEMBL10971738 | 0.78 | KMT2A (0.75) | ALDH1A1POLBGAAKMT2AKDM4E | |
| SCHEMBL10977484 | 0.77 | P2RY1 (0.55) | KMT2AGPBAR1KDM4EMEN1CYP1A2 | |
| SCHEMBL11238903 | 0.77 | MET (0.45) | ALDH1A1POLBGAAKMT2AGPBAR1 | |
| SCHEMBL2332693 | 0.76 | ALDH1A1 (0.61) | ALDH1A1POLBGAARAB9ATDP1 | |
| SCHEMBL7674124 | 0.76 | ALDH1A1 (0.58) | ALDH1A1POLBGAARAB9AKDM4E | |
| SCHEMBL3137908 | 0.76 | GPBAR1 (0.72) | ALDH1A1POLBKMT2AGPBAR1RAB9A | |
| SCHEMBL7364681 | 0.75 | RAB9A (0.72) | ALDH1A1POLBGAARAB9AKDM4E | |
| SCHEMBL4493980 | 0.75 | GAA (0.53) | POLBGAAKMT2AGPBAR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0053011-B1 | NEW HERBICIDAL NICOTINAMIDE DERIVATIVES | MAY & BAKER LIMITED (GB) | 1985-04-03 | — | — | EP | disclosed |
| EP-0062118-A1 | Process for producing 1,3-dithiol-2-ylidene malonates | NIHON NOHYAKU CO., LTD. (JP) | 1982-10-13 | — | — | EP | disclosed |
| EP-0053011-A1 | New herbicidal nicotinamide derivatives | MAY & BAKER LIMITED (GB) | 1982-06-02 | — | — | EP | disclosed |