Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL1011883 | 0.85 | TDP1 (0.52) | CYP3A4TDP1TSHRACHEESR1 | |
| SCHEMBL20873230 | 0.78 | TDP1 (0.44) | CYP3A4TDP1TSHRACHEESR1 | |
| SCHEMBL4265621 | 0.78 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL20697881 | 0.76 | TRPA1 (0.45) | CYP3A4TDP1TSHRACHEESR1 | |
| SCHEMBL23182095 | 0.76 | CYP3A4 (0.42) | CYP3A4TDP1TSHRACHEESR1 | |
| SCHEMBL28294523 | 0.74 | CYP3A4 (0.41) | CYP3A4TDP1TSHRESR2KDM4E | |
| SCHEMBL21331888 | 0.73 | CYP3A4 (0.44) | CYP3A4TDP1TSHRACHEESR1 | |
| SCHEMBL20697880 | 0.73 | CA1 (0.43) | CYP3A4TDP1TSHRKDM4EALDH1A1 | |
| SCHEMBL3665710 | 0.73 | TDP1 (0.39) | CYP3A4TDP1TSHRACHEESR1 | |
| O-Xylene SCHEMBL5617302 | 0.73 | CYP3A4 (0.71) | CYP3A4TDP1TSHRACHEESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017134618-A1 | MONOCARBONYL RUTHENIUM AND OSMIUM CATALYSTS | UNIVERSITA' DEGLI STUDI DI UDINE (IT) | 2017-08-10 | — | — | WO | disclosed |