Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.41 |
| ▸ | NCK1 | P16333 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10585917 | 0.89 | NQO2 (0.64) | NQO2KDM4EMAPTALDH1A1L3MBTL1 | |
| SCHEMBL434975 | 0.84 | NQO2 (0.70) | NQO2KDM4EMAPTALDH1A1L3MBTL1 | |
| SCHEMBL30745612 | 0.84 | NQO2 (0.70) | NQO2KDM4EMAPTALDH1A1L3MBTL1 | |
| SCHEMBL15537600 | 0.80 | KMT2A (0.59) | KDM4EMAPTALDH1A1TDP1RAB9A | |
| SCHEMBL15537449 | 0.80 | KMT2A (0.59) | KDM4EMAPTALDH1A1TDP1RAB9A | |
| SCHEMBL2756741 | 0.79 | NQO2 (0.85) | NQO2KDM4EMAPTALDH1A1L3MBTL1 | |
| SCHEMBL9927345 | 0.79 | NQO2 (0.85) | NQO2KDM4EMAPTALDH1A1L3MBTL1 | |
| SCHEMBL31193292 | 0.78 | TDP1 (0.54) | NQO2KDM4EMAPTALDH1A1L3MBTL1 | |
| SCHEMBL27833133 | 0.78 | TDP1 (0.54) | NQO2KDM4EMAPTALDH1A1L3MBTL1 | |
| SCHEMBL28292658 | 0.77 | NQO2 (0.50) | NQO2KDM4EMAPTALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689642-A | MONOCYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109689664-A | The quinoline and azepine quinoline compound that tricyclic heteroaryl as PAR4 inhibitor replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |