Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | CDC42BPB | Q9Y5S2 | 12/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL627209 | 0.78 | HASPIN (0.40) | PIM1CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL627088 | 0.73 | MAPT (0.32) | MAPTTHRB | |
| SCHEMBL627773 | 0.68 | MAPT (0.43) | MAPTTHRB | |
| SCHEMBL627055 | 0.64 | MAPT (0.48) | MAPTTHRB | |
| SCHEMBL38663548 | 0.59 | CHRNB2 (0.57) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL1556564 | 0.57 | CDC42BPB (0.54) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL24273708 | 0.57 | CHRNA1 (0.36) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL4504835 | 0.56 | NPC1 (0.54) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL21287570 | 0.55 | PTPN11 (0.57) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 | |
| SCHEMBL627245 | 0.55 | F2RL3 (0.50) | — |
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-2012020217-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |