Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.42 |
| ▸ | OTUD7B | Q6GQQ9 | 2/20 | 0.42 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 6/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7202867 | 0.77 | MKNK1 (0.46) | GSTO1KDRMKNK1CNR1CCNE1 | |
| Trifluoroacetic Acid SCHEMBL5359869 | 0.76 | NPY5R (0.58) | GSTO1KDRMKNK1CNR1CCNE1 | |
| SCHEMBL6838939 | 0.73 | KDR (0.54) | GSTO1KDRMKNK1CNR1CCNE1 | |
| SCHEMBL19296044 | 0.73 | MKNK1 (0.64) | GSTO1KDRMKNK1CNR1CCNE1 | |
| Trifluoroacetic Acid SCHEMBL29908119 | 0.73 | USP30 (0.49) | GSTO1KDRMKNK1CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL17632596 | 0.72 | MKNK1 (0.63) | GSTO1KDRMKNK1CNR1CCNE1 | |
| Hydrochloric Acid SCHEMBL17632594 | 0.72 | MKNK1 (0.63) | GSTO1KDRMKNK1CNR1CCNE1 | |
| SCHEMBL19031468 | 0.71 | OTUD7B (0.61) | GSTO1KDRMKNK1CNR1CCNE1 | |
| Trifluoroacetic Acid SCHEMBL6846515 | 0.71 | KDR (0.46) | GSTO1KDRMKNK1CNR1CCNE1 | |
| Trifluoroacetic Acid SCHEMBL29992990 | 0.70 | UCHL1 (0.55) | GSTO1KDRMKNK1CCNE1CDK2 |
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-2003015778-A1 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2003-02-27 | — | — | WO | disclosed |