Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NSD2 | O96028 | 1/20 | 0.52 |
| ▸ | ALPL | P05186 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ALPI | P09923 | 1/20 | 0.52 |
| ▸ | ALPG | P10696 | 1/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | CASP6 | P55212 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31148960 | 0.92 | DHODH (0.55) | HDAC8MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL315040 | 0.90 | HDAC8 (0.70) | HDAC8ALDH1A1KDM4EKMOERCC5 | |
| SCHEMBL28254875 | 0.87 | ALDH1A1 (0.68) | HDAC8ALDH1A1MAPTKDM4EL3MBTL1 | |
| SCHEMBL25700071 | 0.87 | ALDH1A1 (0.68) | HDAC8ALDH1A1MAPTKDM4EL3MBTL1 | |
| SCHEMBL1706875 | 0.83 | NPC1 (0.67) | HDAC8MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL20078583 | 0.81 | CYP3A4 (0.62) | HDAC8MEN1KMT2AALDH1A1MAPT | |
| Benzoic Acid Hydrazide SCHEMBL83514 | 0.81 | CYP3A4 (0.62) | HDAC8MEN1KMT2AALDH1A1MAPT | |
| Benzoic Acid Hydrazide SCHEMBL4515671 | 0.81 | CYP3A4 (0.62) | HDAC8MEN1KMT2AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL5804936 | 0.81 | NPC1 (0.64) | HDAC8MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL3793085 | 0.80 | ALDH1A1 (0.59) | HDAC8ALDH1A1MAPTKDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102333779-B | Benzopyran and benzoxex PI3K inhibitor compounds and methods of use | GENENTECH, INC. (US) | 2015-12-09 | — | — | CN | disclosed |