Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
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 | 1.00 | CYP3A4 (0.48) | CYP3A4MAOAMAOBTMEM97MGAM | |
| SCHEMBL16649032 | 0.85 | DRD3 (0.49) | CYP3A4ESR1ESR2TTR | |
| SCHEMBL9749181 | 0.81 | CYP3A4 (0.46) | CYP3A4MAOAMAOBTMEM97MGAM | |
| SCHEMBL4347592 | 0.78 | CA2 (0.53) | CYP3A4MAOAMAOBTMEM97PTPN1 | |
| SCHEMBL21284826 | 0.78 | CYP3A4 (0.49) | CYP3A4MAOAMAOBTMEM97ESR1 | |
| SCHEMBL21284745 | 0.78 | CA2 (0.53) | CYP3A4MAOAMAOBTMEM97PTPN1 | |
| SCHEMBL6327487 | 0.78 | TOP2A (0.42) | — | |
| SCHEMBL30456628 | 0.78 | TOP2A (0.42) | — | |
| SCHEMBL21933120 | 0.78 | TOP2A (0.42) | — | |
| Catechol SCHEMBL28905345 | 0.78 | DRD3 (0.47) | CYP3A4MAOAMAOBESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8952185-B2 | Production method of optically active dihydrobenzofuran derivative | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-02-10 | — | — | US | disclosed |