Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8584200 | 0.81 | CYP3A4 (0.48) | CYP3A4MAOAMAOBTMEM97ESR1 | |
| SCHEMBL16448787 | 0.81 | CYP3A4 (0.48) | CYP3A4MAOAMAOBTMEM97ESR1 | |
| SCHEMBL12749556 | 0.80 | CYP3A4 (0.48) | CYP3A4MAOAMAOBESR1ESR2 | |
| SCHEMBL14198416 | 0.78 | CYP3A4 (0.49) | CYP3A4MAOAMAOBESR1ESR2 | |
| SCHEMBL21284745 | 0.76 | CA2 (0.53) | CYP3A4MAOAMAOBTMEM97ESR1 | |
| SCHEMBL21284826 | 0.76 | CYP3A4 (0.49) | CYP3A4MAOAMAOBTMEM97ESR1 | |
| SCHEMBL4347592 | 0.76 | CA2 (0.53) | CYP3A4MAOAMAOBTMEM97ESR1 | |
| SCHEMBL3796779 | 0.74 | CHRNB4 (0.50) | CYP3A4MAOAMAOBESR1ESR2 | |
| SCHEMBL16448789 | 0.74 | CYP3A4 (0.44) | CYP3A4MAOAMAOBTMEM97ESR1 | |
| SCHEMBL9749071 | 0.74 | CYP3A4 (0.44) | CYP3A4MAOAMAOBTMEM97ESR1 |
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-0230475-B1 | NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1992-03-18 | — | — | EP | disclosed |
| US-4838924-A | NONPHYTOTOXIC | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1989-06-13 | — | — | US | disclosed |