Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 3/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6467426 | 0.78 | MAP3K5 (0.54) | MAP3K5ROCK1S1PR3ACVR1KDR | |
| SCHEMBL27075383 | 0.76 | AOC3 (0.52) | KDRNPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL9921201 | 0.74 | MAP3K5 (0.46) | MAP3K5ROCK1S1PR3ACVR1PDE10A | |
| SCHEMBL167891 | 0.72 | MAP3K5 (0.60) | MAP3K5ROCK1KDRNPC1MAPT | |
| SCHEMBL31381352 | 0.72 | MAP3K5 (0.60) | MAP3K5ROCK1KDRNPC1MAPT | |
| Benzene SCHEMBL28188863 | 0.72 | MAP3K5 (0.60) | MAP3K5ROCK1KDRNPC1MAPT | |
| SCHEMBL27770482 | 0.72 | MAP3K5 (0.60) | MAP3K5ROCK1KDRNPC1MAPT | |
| SCHEMBL22725711 | 0.71 | ROCK1 (0.45) | MAP3K5ROCK1KDRHTR3AMAPT | |
| SCHEMBL1054022 | 0.71 | ROCK1 (0.51) | MAP3K5ROCK1KDRHTR3AFGFR1 | |
| Hydrochloric Acid SCHEMBL8807679 | 0.70 | MAP3K5 (0.58) | MAP3K5ROCK1KDRNPC1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101171245-A | Indolylamino quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2008-04-30 | — | — | CN | disclosed |
| CN-101171245-A | Indolylamino quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2008-04-30 | — | — | CN | disclosed |