Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KLK7 | P49862 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27908855 | 0.96 | MEN1 (0.49) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL27469162 | 0.90 | ALDH1A1 (0.41) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| SCHEMBL28052589 | 0.85 | EPHX1 (0.50) | ALDH1A1HPGDMAPTMEN1KMT2A | |
| SCHEMBL27936325 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| SCHEMBL27721022 | 0.83 | MEN1 (0.48) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| SCHEMBL28781997 | 0.81 | ALDH1A1 (0.44) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| SCHEMBL697475 | 0.80 | KLK7 (0.48) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| SCHEMBL2648207 | 0.80 | MEN1 (0.51) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| SCHEMBL697615 | 0.80 | KLK7 (0.48) | ALDH1A1HPGDKLK7MAPTMEN1 | |
| SCHEMBL11843186 | 0.79 | HPGD (0.48) | ALDH1A1HPGDKLK7MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102746175-B | Substituted pyrimidodiazepines useful as PLK1 inhibitors | TAKAEDA CHEMICAL IND LTD | 2014-01-15 | — | — | CN | disclosed |
| CN-102746175-A | Substituted pyrimidodiazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE | 2012-10-24 | — | — | CN | disclosed |
| CN-101636399-B | Substituted pyrimidodiazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE CH | 2012-04-18 | — | — | CN | disclosed |
| CN-101636399-A | Substituted pyrimido diazepines useful as PLK1 inhibitors | HOFFMANN LA ROCHE | 2010-01-27 | — | — | CN | disclosed |