Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | PARK7 | Q99497 | 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 | |
|---|---|---|---|---|
| SCHEMBL546449 | 0.84 | CASP3 (0.48) | CASP3ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL7956763 | 0.82 | CASP3 (0.55) | CASP3ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL7957008 | 0.80 | ADRA1D (0.62) | CASP3ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL12475302 | 0.78 | KMT2A (0.46) | CASP3CA1CA4ALDH1A1SMN1; SMN2 | |
| SCHEMBL15078643 | 0.73 | RXFP1 (0.44) | CASP3KDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL18669177 | 0.70 | CASP3 (0.52) | CASP3ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL29724090 | 0.70 | CASP3 (0.86) | CASP3ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL1142116 | 0.70 | CASP3 (0.86) | CASP3ADRA1DADRA1AADRA1BCA1 | |
| SCHEMBL18669003 | 0.70 | CA9 (0.61) | CASP3CA1CA2CA9KDM4E | |
| Bromide SCHEMBL22366540 | 0.69 | ADRA1D (0.44) | CASP3ADRA1DADRA1AADRA1BGLS |
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-1957460-A1 | BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007067444-A1 | BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-06-14 | — | — | WO | disclosed |