Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTSR1 | P30989 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CHRND | Q07001 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 4/20 | 0.31 |
| ▸ | PPARA | Q07869 | 4/20 | 0.31 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.30 |
| ▸ | GCGR | P47871 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21710486 | 0.96 | NTSR1 (0.32) | NTSR1CA12CA1CA2CA9 | |
| SCHEMBL22679493 | 0.91 | NTSR1 (0.31) | NTSR1CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL22858087 | 0.87 | PIK3CD (0.35) | AKR1C3AKR1C2 | |
| SCHEMBL22679469 | 0.85 | NTSR1 (0.34) | NTSR1ALKGCGRAKR1C3AKR1C2 | |
| SCHEMBL22868338 | 0.85 | AKR1B1 (0.34) | — | |
| SCHEMBL21718104 | 0.84 | KDM4E (0.35) | NTSR1CA12CA1CA2CA9 | |
| SCHEMBL21717836 | 0.83 | CHRNA1 (0.32) | NTSR1CA12CA1CA2CA9 | |
| SCHEMBL21710480 | 0.82 | NTSR1 (0.32) | NTSR1CA12CA1CA2CA9 | |
| SCHEMBL21710478 | 0.81 | PTGES (0.34) | — | |
| SCHEMBL21718134 | 0.81 | PTGES (0.35) | CA12CA1CA2CA9 |
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-20200052212-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2020-02-13 | — | — | US | disclosed |