Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.56 |
| ▸ | IKBKB | O14920 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.45 |
| ▸ | TCF7L2 | Q9NQB0 | 4/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4971127 | 1.00 | SMO (0.59) | SMOHDAC1IKBKBHDAC2HDAC3 | |
| SCHEMBL402864 | 0.94 | SMO (0.64) | SMOHDAC1IKBKBHDAC2HDAC3 | |
| SCHEMBL399419 | 0.94 | SMO (0.64) | SMOHDAC1IKBKBHDAC2HDAC3 | |
| SCHEMBL402178 | 0.94 | SMO (0.64) | SMOHDAC1IKBKBHDAC2HDAC3 | |
| SCHEMBL4967912 | 0.92 | HDAC1 (0.62) | SMOHDAC1IKBKBMAPK7RAB9A | |
| SCHEMBL4971491 | 0.92 | HDAC1 (0.62) | SMOHDAC1IKBKBMAPK7RAB9A | |
| SCHEMBL4968097 | 0.88 | HDAC2 (0.60) | SMOHDAC1HDAC2HDAC3MAPK7 | |
| SCHEMBL404107 | 0.86 | SMO (0.70) | SMOHDAC1HDAC2MAPK7RAB9A | |
| SCHEMBL403079 | 0.86 | SMO (0.70) | SMOHDAC1HDAC2MAPK7RAB9A | |
| SCHEMBL403080 | 0.86 | SMO (0.70) | SMOHDAC1HDAC2MAPK7RAB9A |
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 |