Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.75 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.75 |
| ▸ | ESR1 | P03372 | 4/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL230266 | 1.00 | TDP1 (0.75) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL101 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL5028587 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL2085135 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Benzene SCHEMBL6890099 | 0.87 | TDP1 (1.00) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL3002009 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL21296017 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL21296015 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL4053762 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Iodomethane SCHEMBL114985 | 0.84 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-108473521-B | Substituted cyclopentadienyl cobalt complex and its preparing method, cobalt-containing film and its preparing method | 东曹株式会社 | 2021-03-12 | — | — | CN | disclosed |