Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 1/20 | 0.50 |
| ▸ | FLT4 | P35916 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 8/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28109482 | 0.82 | EGFR (0.51) | KDRADORA3EGFRABCG2HDAC1 | |
| SCHEMBL27818902 | 0.78 | EGFR (0.51) | ADORA3EGFRABCG2HDAC1LMNA | |
| SCHEMBL27441184 | 0.73 | EGFR (0.60) | PDGFRBEGFRABCG2HDAC1ERBB2 | |
| SCHEMBL27873799 | 0.73 | ADORA3 (0.66) | ADORA3EGFRABCG2HDAC1LMNA | |
| SCHEMBL22720135 | 0.73 | HSPD1 (0.55) | LMNAALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL31004010 | 0.72 | ADORA3 (0.65) | ADORA3EGFRABCG2LMNAERBB2 | |
| SCHEMBL4745458 | 0.72 | ADORA3 (0.65) | ADORA3EGFRABCG2LMNAERBB2 | |
| SCHEMBL27544914 | 0.70 | EGFR (0.62) | PDGFRBKITFLT1FLT4KDR | |
| SCHEMBL27639947 | 0.70 | NPC1 (0.61) | ADORA3EGFRABCG2HDAC1LMNA | |
| SCHEMBL28645156 | 0.70 | ADORA3 (0.65) | ADORA3EGFRABCG2LMNAERBB2 |
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-102850397-B | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2015-02-18 | — | — | CN | disclosed |