Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | RXRB | P28702 | 2/20 | 0.38 |
| ▸ | RXRG | P48443 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 9/20 | 0.35 |
| ▸ | PARP1 | P09874 | 9/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 9/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1427894 | 0.94 | TP53 (0.40) | TP53TSHRCCR9ESR1ESR2 | |
| SCHEMBL5011507 | 0.83 | BCL2 (0.45) | RXRARXRB | |
| SCHEMBL13974830 | 0.79 | EGFR (0.44) | RXRARXRBRXRGTP53CDC7 | |
| SCHEMBL18802754 | 0.78 | KIF11 (0.44) | TSHRTNKSPARP1TNKS2CDC7 | |
| SCHEMBL547767 | 0.78 | KIF11 (0.44) | TSHRTNKSPARP1TNKS2CDC7 | |
| SCHEMBL3392101 | 0.78 | HRH3 (0.43) | RXRARXRBRXRGTSHR | |
| SCHEMBL3639494 | 0.77 | TSHR (0.57) | TP53TSHREPHX2NR1H4 | |
| Hydrochloric Acid SCHEMBL21352581 | 0.76 | HRH3 (0.41) | TSHR | |
| SCHEMBL1428666 | 0.76 | ALDH1A1 (0.48) | TP53TSHRTNKSPARP1ESR1 | |
| SCHEMBL2267819 | 0.76 | KIF11 (0.55) | RXRARXRBRXRG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1893562-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | Merck Frosst Canada Ltd. (CA) | 2008-03-05 | — | — | EP | claimed |
| WO-2006133559-A1 | REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B | MERCK FROSST CANADA LTD. (CA) | 2006-12-21 | — | — | WO | claimed |