Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | ERN1 | O75460 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KMO | O15229 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ACLY | P53396 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30283775 | 0.90 | ERN1 (0.60) | SMN1; SMN2KMT2AMEN1ERN1HPGD | |
| SCHEMBL1135975 | 0.90 | ERN1 (0.60) | SMN1; SMN2KMT2AMEN1ERN1HPGD | |
| Hydrochloric Acid SCHEMBL28646857 | 0.88 | ERN1 (0.59) | SMN1; SMN2KMT2AMEN1ERN1HPGD | |
| SCHEMBL2047793 | 0.83 | HPGD (0.63) | SMN1; SMN2KMT2AMEN1ERN1HPGD | |
| SCHEMBL27474934 | 0.82 | ALDH1A1 (0.54) | SMN1; SMN2KMT2AMEN1HPGDRAB9A | |
| SCHEMBL4039494 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2KMT2AMEN1HPGDRAB9A | |
| SCHEMBL30062 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2KMT2AMEN1HPGDRAB9A | |
| Trifluoroacetic Acid SCHEMBL5067780 | 0.81 | PDK2 (0.57) | KMT2AMEN1ERN1KMOPDK2 | |
| SCHEMBL16105694 | 0.80 | KMO (0.44) | SMN1; SMN2KMT2AMEN1HPGDKMO | |
| SCHEMBL12168605 | 0.80 | ERN1 (0.58) | ERN1KMOPDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102762574-B | Benzoxapi 3K inhibitor compounds and methods of use | HOFFMAN-LA ROCHE LTD. (CH) | 2015-12-02 | — | — | CN | disclosed |
| CN-104987345-A | BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | HOFFMANN LA ROCHE | 2015-10-21 | — | — | CN | disclosed |
| CN-102762574-A | Benzoxapi 3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |