Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2470899 | 0.84 | OPRL1 (0.61) | TSHRALOX15ATMOPRL1MEN1 | |
| SCHEMBL2473049 | 0.84 | CHRM5 (0.73) | TSHRALOX15ATMCHRM5CHRM3 | |
| SCHEMBL2495108 | 0.82 | TSHR (0.59) | TSHRALOX15ATMCHRM5CHRM3 | |
| SCHEMBL2465556 | 0.82 | TP53 (0.45) | TSHRALOX15ATMMEN1KMT2A | |
| SCHEMBL2466711 | 0.82 | MEN1 (0.41) | RORCMEN1KMT2ASMN1; SMN2HDAC1 | |
| SCHEMBL31382020 | 0.81 | TSHR (0.51) | TSHRALOX15ATMRORCMEN1 | |
| SCHEMBL396197 | 0.81 | TSHR (0.53) | TSHRALOX15ATMRORCMEN1 | |
| SCHEMBL378967 | 0.79 | TSHR (0.60) | TSHRALOX15ATMRORCHDAC1 | |
| SCHEMBL2472782 | 0.78 | TSHR (0.56) | TSHRALOX15ATMCHRM5CHRM3 | |
| SCHEMBL8102112 | 0.78 | CNR1 (0.46) | TSHRALOX15ATMRORCMEN1 |
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 |