Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.70 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.70 |
| ▸ | RAB9A | P51151 | 3/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | GAA | P10253 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.46 |
| ▸ | WNT3A | P56704 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL117208 | 0.83 | ROCK2 (1.00) | ROCK2ROCK1RAB9AKDM4EMEN1 | |
| SCHEMBL29372553 | 0.83 | ROCK2 (1.00) | ROCK2ROCK1RAB9AKDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL18108734 | 0.82 | AR (0.54) | ROCK2ROCK1RAB9AKDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL18108738 | 0.82 | AR (0.54) | ROCK2ROCK1RAB9AKDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL27736715 | 0.82 | CTNNB1 (0.56) | ROCK2ROCK1RAB9ACTNNB1WNT3A | |
| Hydrochloric Acid SCHEMBL3873262 | 0.82 | ROCK2 (0.96) | ROCK2ROCK1RAB9AKDM4EMEN1 | |
| Water SCHEMBL28188426 | 0.82 | ROCK2 (0.96) | ROCK2ROCK1RAB9AKDM4EMEN1 | |
| Indazole SCHEMBL29627950 | 0.78 | HSP90AA1 (0.66) | ROCK2ROCK1RAB9AKDM4EMAPT | |
| Indazole SCHEMBL2267425 | 0.78 | HSP90AA1 (0.66) | ROCK2ROCK1RAB9AKDM4EMAPT | |
| Indazole SCHEMBL20239569 | 0.78 | HSP90AA1 (0.66) | ROCK2ROCK1RAB9AKDM4EMAPT |
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-2011123937-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2011-10-13 | — | — | WO | disclosed |