Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MYC | P01106 | 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 | |
|---|---|---|---|---|
| SCHEMBL1015554 | 0.82 | KDM4E (0.38) | ATMCA1CA2CA12CA3 | |
| SCHEMBL29639621 | 0.77 | CA2 (0.35) | CA1CA2CA12CA3CA4 | |
| SCHEMBL1018327 | 0.75 | TSHR (0.46) | ATMTSHRALDH1A1TP53CASP1 | |
| SCHEMBL1015540 | 0.75 | TSHR (0.46) | ATMTSHRALDH1A1TP53CASP1 | |
| SCHEMBL1252961 | 0.75 | TSHR (0.46) | ATMTSHRALDH1A1TP53CASP1 | |
| SCHEMBL1251402 | 0.73 | TSHR (0.34) | TSHRALDH1A1CASP1SMN1; SMN2MYC | |
| SCHEMBL1017799 | 0.73 | TSHR (0.34) | TSHRALDH1A1CASP1SMN1; SMN2MYC | |
| SCHEMBL1254273 | 0.73 | TSHR (0.34) | TSHRALDH1A1CASP1SMN1; SMN2MYC | |
| SCHEMBL1018609 | 0.73 | GRM1 (0.43) | TSHRALDH1A1SMN1; SMN2MYCTDP1 | |
| SCHEMBL1019254 | 0.72 | TSHR (0.47) | TSHRALDH1A1SMN1; SMN2PTGS2PTGS1 |
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-2271642-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | Genentech, Inc. (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009126863-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2009-10-15 | — | — | WO | disclosed |
| EP-1789390-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | Genentech, Inc. (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006028958-A2 | PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING | GENENTECH, INC. (US) | 2006-03-16 | — | — | WO | disclosed |