Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.38 |
| ▸ | MAP3K1 | Q13233 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.38 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CBLB | Q13191 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615320 | 0.91 | MET (0.45) | KMT2ANTRK1METRAB9AMAP4K2 | |
| SCHEMBL17918667 | 0.81 | MET (0.46) | KMT2ANTRK1TSHRMETRAB9A | |
| SCHEMBL20859431 | 0.77 | KMT2A (0.39) | KMT2ANTRK1TSHRMETRAB9A | |
| SCHEMBL17918726 | 0.73 | MET (0.54) | KMT2ANTRK1METRAB9AMAP4K2 | |
| SCHEMBL16615215 | 0.72 | ALK (0.50) | KMT2ATSHRRAB9AHTTPOLB | |
| SCHEMBL20859323 | 0.71 | MET (0.44) | KMT2ANTRK1METRAB9AMAP4K2 | |
| SCHEMBL16615268 | 0.71 | KDM4E (0.41) | RAB9AHTTPOLBKDM4ETP53 | |
| SCHEMBL17918666 | 0.70 | MET (0.44) | KMT2ANTRK1TSHRMETRAB9A | |
| SCHEMBL17918857 | 0.68 | MET (0.50) | KMT2AMETRAB9AMAP4K2MAP3K1 | |
| SCHEMBL17969736 | 0.68 | MET (0.43) | KMT2AMETRAB9AMAP4K2MAP3K1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |