Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13390958 | 0.82 | ROCK2 (0.51) | NPC1RAB9AROCK2BTK | |
| SCHEMBL3250445 | 0.82 | ROCK2 (0.63) | NPC1RAB9AROCK2MGLLTACR3 | |
| SCHEMBL3242948 | 0.80 | ROCK2 (0.62) | NPC1RAB9AROCK2SMN1; SMN2MGLL | |
| SCHEMBL3249281 | 0.72 | ROCK2 (0.55) | NPC1RAB9AROCK2 | |
| SCHEMBL3238410 | 0.70 | ROCK2 (0.64) | NPC1RAB9AROCK2SMN1; SMN2MGLL | |
| SCHEMBL6187342 | 0.69 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2RAF1BRAF | |
| SCHEMBL6166293 | 0.68 | PTPN1 (0.61) | NPC1RAB9AROCK2MGLLHDAC3 | |
| SCHEMBL6189531 | 0.68 | TACR3 (0.53) | NPC1RAB9ACASP3MGLLTACR3 | |
| SCHEMBL3241665 | 0.67 | ROCK2 (0.69) | ROCK2 | |
| SCHEMBL6161722 | 0.67 | MGLL (0.56) | NPC1RAB9ASMN1; SMN2CASP3MGLL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010036316-A1 | UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-04-01 | — | — | WO | claimed |
| WO-2010036316-A1 | UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-04-01 | — | — | WO | disclosed |