Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.34 |
| ▸ | GRM6 | O15303 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1100205 | 0.81 | ALDH1A1 (0.63) | KDM4EALDH1A1GAAHTT | |
| SCHEMBL5428749 | 0.78 | ALDH1A1 (0.62) | KDM4EPOLBALDH1A1HTT | |
| SCHEMBL27996077 | 0.74 | CA12 (0.42) | KDM4EPOLBALDH1A1GAAGRM6 | |
| SCHEMBL31656211 | 0.73 | CYP3A4 (0.55) | KDM4EPOLBALDH1A1GAAEGFR | |
| SCHEMBL2616107 | 0.73 | CYP3A4 (0.55) | KDM4EPOLBALDH1A1GAAEGFR | |
| SCHEMBL31188292 | 0.73 | ALDH1A1 (0.49) | KDM4EALDH1A1GAAGRM6 | |
| SCHEMBL28309007 | 0.72 | CYP3A4 (0.40) | KDM4EGAAGRM6EGFR | |
| SCHEMBL28362778 | 0.72 | ACHE (0.48) | KDM4EPOLBALDH1A1GAAMTNR1A | |
| SCHEMBL1185611 | 0.71 | KMT2A (0.52) | KDM4EPOLBALDH1A1GAAGRM6 | |
| SCHEMBL28903578 | 0.71 | HTT (0.59) | KDM4EALDH1A1HTTMTNR1AMTNR1B |
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-103501612-A | Compounds for inhibiting cell proliferation in EGFR-driven cancers | ARIAD PHARMA INC | 2014-01-08 | — | — | CN | disclosed |