Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 5/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2473051 | 0.84 | TSHR (0.49) | KMT2ATSHRALOX15ATMTACR1 | |
| SCHEMBL2466715 | 0.81 | MEN1 (0.42) | MEN1KMT2ARORCHDAC2HDAC1 | |
| SCHEMBL396197 | 0.81 | TSHR (0.53) | MEN1KMT2ATSHRALOX15ATM | |
| SCHEMBL4036612 | 0.79 | MEN1 (0.46) | MEN1KMT2ATSHRALOX15ATM | |
| SCHEMBL31382020 | 0.78 | TSHR (0.51) | MEN1KMT2ATSHRALOX15ATM | |
| SCHEMBL378699 | 0.78 | OPRM1 (0.43) | MEN1KMT2ATSHROPRM1HSD11B1 | |
| SCHEMBL6543160 | 0.77 | TSHR (0.57) | TSHRALOX15ATMOPRM1TACR1 | |
| SCHEMBL2472784 | 0.76 | TSHR (0.50) | MEN1KMT2ATSHRALOX15ATM | |
| SCHEMBL3264110 | 0.76 | RORC (0.49) | MEN1KMT2ATSHRALOX15ATM | |
| SCHEMBL3266179 | 0.75 | RORC (0.51) | MEN1KMT2ARORCHDAC2HDAC1 |
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-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |