Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA7 | P43166 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | USP8 | P40818 | 1/20 | 0.36 |
| ▸ | USP7 | Q93009 | 1/20 | 0.36 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KLK7 | P49862 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21091628 | 0.87 | CA1 (0.58) | CA1CA2CA7CA9CA4 | |
| SCHEMBL7984798 | 0.74 | CA1 (1.00) | CA1CA2CA7CA9CA4 | |
| SCHEMBL13498049 | 0.64 | ACHE (0.40) | CA1CA2CA7CA9ACHE | |
| SCHEMBL21091664 | 0.64 | — | — | |
| SCHEMBL4335218 | 0.63 | CA1 (0.58) | CA1CA2CA7CA9ACHE | |
| SCHEMBL18048115 | 0.62 | CA1 (0.56) | CA1CA2CA7CA9ACHE | |
| SCHEMBL31369142 | 0.62 | CA1 (0.56) | CA1CA2CA7CA9ACHE | |
| SCHEMBL4532731 | 0.61 | CYP3A4 (0.53) | CA1CA2CA7CA9CA4 | |
| SCHEMBL13518527 | 0.61 | CYP3A4 (0.53) | CA1CA2CA7CA9CA4 | |
| SCHEMBL3899483 | 0.60 | CA1 (0.54) | CA1CA2CA7CA9ACHE |
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-9833423-B2 | 1,3-Di-oxo-indene derivative, pharmaceutically acceptable salt or optical isomer thereof, preparation method thereof, and pharmaceutical composition containing same as an antiviral, active ingredient | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2017-12-05 | — | — | US | disclosed |