Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10093291 | 0.93 | GRM1 (0.35) | ALDH1A1ATMMAPK1POLBCYP2D6 | |
| SCHEMBL669034 | 0.93 | GRM1 (0.35) | ALDH1A1ATMMAPK1POLBCYP2D6 | |
| SCHEMBL27667349 | 0.84 | KMT2A (0.37) | KMT2AALDH1A1NPSR1ATMTSHR | |
| SCHEMBL31342920 | 0.77 | F10 (0.40) | KMT2AALDH1A1NPSR1ATMTSHR | |
| SCHEMBL27667328 | 0.75 | PSEN1 (0.38) | KMT2AALDH1A1NPSR1ATMTSHR | |
| SCHEMBL27667817 | 0.75 | KMT2A (0.36) | KMT2AALDH1A1NPSR1ATMTSHR | |
| SCHEMBL12868635 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ATMPOLBGAAALOX15 | |
| SCHEMBL17479967 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ATMPOLBGAAALOX15 | |
| SCHEMBL32674026 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ATMPOLBGAAALOX15 | |
| SCHEMBL26529108 | 0.74 | ALDH1A1 (0.41) | ALDH1A1ATMPOLBGAAALOX15 |
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 |