Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | THPO | P40225 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11918237 | 1.00 | TSHR (0.60) | TSHRTHPOLMNACA4FFAR3 | |
| SCHEMBL4119300 | 0.83 | TSHR (0.43) | TSHRTHPOLMNACA4FFAR3 | |
| SCHEMBL819602 | 0.83 | TSHR (0.43) | TSHRTHPOLMNACA4FFAR3 | |
| SCHEMBL9871980 | 0.83 | TSHR (0.43) | TSHRTHPOLMNACA4FFAR3 | |
| SCHEMBL1426746 | 0.80 | — | — | |
| Methane SCHEMBL15247107 | 0.80 | TSHR (0.40) | TSHRTHPOLMNACA4FFAR3 | |
| SCHEMBL2631747 | 0.80 | LMNA (0.47) | TSHRTHPOLMNACA4FFAR3 | |
| SCHEMBL862530 | 0.77 | — | — | |
| Butanedione SCHEMBL20472 | 0.76 | — | — | |
| Butanedione SCHEMBL1867426 | 0.76 | TSHR (1.00) | TSHRTHPOLMNACA4FFAR3 |
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-2012046062-A1 | USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS | SHIRE, LLC (US) | 2012-04-12 | — | — | WO | disclosed |