Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | EED | O75530 | 9/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CFB | P00751 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10211855 | 0.87 | ALDH1A1 (0.62) | ALDH1A1KDM4EPOLBTSHRCYP2A13 | |
| SCHEMBL10211060 | 0.87 | CFB (0.50) | ALDH1A1KDM4EPOLBCYP2A13MEN1 | |
| SCHEMBL18753878 | 0.86 | ALDH1A1 (0.51) | ALDH1A1EEDKDM4EPOLBTSHR | |
| SCHEMBL806920 | 0.85 | CFB (0.53) | ALDH1A1KDM4EPOLBMEN1KMT2A | |
| SCHEMBL807442 | 0.85 | ALDH1A1 (0.63) | ALDH1A1KDM4EPOLBTSHRCYP2A13 | |
| SCHEMBL24783575 | 0.85 | CYP2A13 (0.68) | ALDH1A1EEDKDM4EPOLBTSHR | |
| Ammonia Solution, Strong SCHEMBL28443624 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EPOLBTSHRCYP2A13 | |
| Hydrochloric Acid SCHEMBL7405658 | 0.83 | ALDH1A1 (0.61) | ALDH1A1KDM4EPOLBTSHRCYP2A13 | |
| SCHEMBL15084328 | 0.82 | EED (0.50) | ALDH1A1EEDKDM4EPOLBTSHR | |
| SCHEMBL11334386 | 0.80 | ALDH1A1 (0.68) | ALDH1A1KDM4EPOLBTSHRCYP2A13 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |