Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 12/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL13894035 | 0.90 | TAS1R3 (0.50) | NAMPTROCK2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL104588 | 0.75 | BTK (0.47) | NAMPTROCK2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13894283 | 0.72 | BTK (0.53) | HDAC2HDAC1BTKNPC1RAB9A | |
| SCHEMBL171471 | 0.69 | BTK (0.67) | BTKNPC1RAB9A | |
| SCHEMBL13894036 | 0.69 | ITK (0.54) | HDAC1BTKNPC1RAB9A | |
| SCHEMBL13893940 | 0.69 | BTK (0.53) | BTKNPC1RAB9A | |
| SCHEMBL31070500 | 0.69 | TAS1R3 (0.57) | NAMPTROCK2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL13833355 | 0.68 | TAS1R3 (0.80) | NAMPTTAS1R3TAS1R1TAS1R2HDAC2 | |
| SCHEMBL15581022 | 0.67 | TAS1R3 (0.56) | NAMPTTAS1R3TAS1R1TAS1R2NPC1 | |
| SCHEMBL13893955 | 0.67 | DHPS (0.51) | HDAC2HDAC1BTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426109-A1 | NOVEL KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-07 | — | — | EP | disclosed |
| WO-2009053269-A1 | NOVEL KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-30 | — | — | WO | disclosed |