Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.49 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.49 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.48 |
| ▸ | CDK7 | P50613 | 1/20 | 0.48 |
| ▸ | CCNH | P51946 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4975497 | 0.92 | KCNH2 (0.57) | SMOKCNH2HDAC2HDAC3HDAC1 | |
| SCHEMBL3679282 | 0.91 | P4HTM (0.58) | SMOKCNH2HDAC2HDAC3HDAC1 | |
| SCHEMBL400145 | 0.90 | SMO (0.73) | SMOKCNH2HDAC2HDAC3HDAC1 | |
| SCHEMBL4972451 | 0.88 | SMO (0.58) | SMODGAT1P4HTMLMNAMAPT | |
| SCHEMBL4968097 | 0.87 | HDAC2 (0.60) | SMOKCNH2HDAC2HDAC3HDAC1 | |
| SCHEMBL4967854 | 0.87 | SMO (0.57) | SMODGAT1P4HTMAURKAFLT3 | |
| SCHEMBL15865032 | 0.85 | SMO (0.82) | SMOHDAC1DGAT1P4HTMLMNA | |
| SCHEMBL401175 | 0.85 | SMO (0.61) | SMOKCNH2HDAC2HDAC3HDAC1 | |
| SCHEMBL10279602 | 0.84 | SMO (0.62) | SMOKCNH2HDAC2HDAC3HDAC1 | |
| SCHEMBL403550 | 0.82 | HDAC2 (0.64) | SMOKCNH2HDAC2HDAC3HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957461-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | Genentech, Inc. (US) | 2008-08-20 | — | — | EP | claimed |
| WO-2007059157-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | GENENTECH, INC. (US) | 2007-05-24 | — | — | WO | claimed |
| EP-1957461-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | Genentech, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007059157-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | GENENTECH, INC. (US) | 2007-05-24 | — | — | WO | disclosed |