Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2489647 | 1.00 | MEN1 (0.37) | MEN1KMT2ALMNAALDH1A1F2 | |
| SCHEMBL2454512 | 1.00 | MEN1 (0.37) | MEN1KMT2ALMNAALDH1A1F2 | |
| SCHEMBL2489651 | 1.00 | MEN1 (0.37) | MEN1KMT2ALMNAALDH1A1F2 | |
| SCHEMBL2452100 | 0.85 | MEN1 (0.43) | MEN1KMT2ALMNAALDH1A1OPRK1 | |
| SCHEMBL2454397 | 0.85 | ALDH1A1 (0.51) | MEN1KMT2ALMNAALDH1A1ATM | |
| SCHEMBL2454395 | 0.85 | ALDH1A1 (0.51) | MEN1KMT2ALMNAALDH1A1ATM | |
| SCHEMBL2452733 | 0.82 | — | — | |
| SCHEMBL2452337 | 0.76 | ALDH1A1 (0.34) | LMNAALDH1A1CYP3A4TSHR | |
| SCHEMBL336767 | 0.74 | LMNA (0.45) | LMNA | |
| SCHEMBL337364 | 0.74 | LMNA (0.45) | LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2366700-A1 | Pyrrolidine-thioxopyrimidinone/thiohydantoin organocatolysts | National and Kapodistrian Universty of Athens (GR) | 2011-09-21 | — | — | EP | disclosed |