Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 4/20 | 0.53 |
| ▸ | ITK | Q08881 | 4/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL171471 | 0.90 | BTK (0.67) | BTKITKNPC1RAB9APOLB | |
| SCHEMBL13894036 | 0.89 | ITK (0.54) | BTKITKMAPTNPC1RAB9A | |
| SCHEMBL13893949 | 0.85 | ITK (0.57) | BTKITKPARP1MAPTTP53 | |
| SCHEMBL171447 | 0.80 | BTK (0.54) | BTKITKMAPTNPC1RAB9A | |
| SCHEMBL13893955 | 0.78 | DHPS (0.51) | BTKHDAC2HDAC1 | |
| SCHEMBL13894035 | 0.76 | TAS1R3 (0.50) | MAPTNPC1RAB9AHDAC2HDAC1 | |
| SCHEMBL13893940 | 0.76 | BTK (0.53) | BTKMAPTNPC1RAB9APOLB | |
| SCHEMBL13894290 | 0.75 | ITK (0.58) | BTKITKAURKATTKAURKB | |
| SCHEMBL3870962 | 0.74 | BTK (0.70) | BTKITKNPC1RAB9APOLB | |
| SCHEMBL171935 | 0.72 | BTK (0.59) | BTKITKNPC1RAB9APOLB |
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-2009053269-A1 | NOVEL KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-30 | — | — | WO | disclosed |