Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.42 |
| ▸ | CDK9 | P50750 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2510770 | 0.87 | CDK9 (0.54) | CCNT1CDK9 | |
| SCHEMBL2510859 | 0.87 | CDK9 (0.54) | CCNT1CDK9 | |
| SCHEMBL20103395 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1KDM4ECCNT1 | |
| SCHEMBL12282057 | 0.83 | CCNT1 (0.45) | CCNT1CDK9 | |
| SCHEMBL6726078 | 0.78 | ALDH1A1 (0.41) | ALDH1A1KMT2AMEN1ATMKDM4E | |
| SCHEMBL20103466 | 0.76 | CDK9 (0.46) | ALDH1A1KMT2AMEN1KDM4ECCNT1 | |
| SCHEMBL20103362 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KMT2AMEN1KDM4ECCNT1 | |
| SCHEMBL30342999 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KMT2AMEN1ATMKDM4E | |
| SCHEMBL23905012 | 0.73 | CDK9 (0.40) | ALDH1A1KMT2AMEN1ATMKDM4E | |
| SCHEMBL31639075 | 0.73 | RORC (0.45) | ALDH1A1KMT2AMEN1KDM4ECCNT1 |
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-2011120877-A1 | ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-06 | — | — | WO | disclosed |