Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 14/20 | 0.60 |
| ▸ | TXK | P42681 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | PRKCG | P05129 | 1/20 | 0.43 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.43 |
| ▸ | MARK3 | P27448 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | NEK4 | P51957 | 1/20 | 0.43 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.43 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8028362 | 0.90 | ITK (0.50) | ITKTXKF2AURKAMAP4K4 | |
| SCHEMBL8026572 | 0.89 | ITK (0.57) | ITKTXKF2AURKAMAP4K4 | |
| Hydrochloric Acid SCHEMBL8029552 | 0.85 | F2 (0.61) | ITKF2 | |
| SCHEMBL7247078 | 0.82 | F2 (0.51) | ITKTXKF2AURKAMAP4K4 | |
| SCHEMBL8026604 | 0.80 | F2 (0.47) | ITKTXKF2AURKAMAP4K4 | |
| SCHEMBL8016085 | 0.78 | F2 (0.47) | ITKTXKF2 | |
| SCHEMBL8028430 | 0.78 | CNR2 (0.57) | ITKF2AURKAMAP4K4CHEK2 | |
| SCHEMBL8016095 | 0.75 | F2 (0.48) | ITKTXKF2ACSL1 | |
| Hydrochloric Acid SCHEMBL8026382 | 0.75 | F2 (0.62) | F2 | |
| SCHEMBL8030111 | 0.75 | ITK (0.48) | ITKTXKF2ACSL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6114532-A | ANTICOAGULANT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-05 | — | — | US | disclosed |