Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 7/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17065980 | 0.87 | MAP3K5 (0.56) | MAP3K5ROCK2PIK3CAKDM4ENPC1 | |
| SCHEMBL17065991 | 0.80 | MAP3K5 (0.56) | MAP3K5ROCK2PIK3CAKDM4ENPC1 | |
| SCHEMBL31286840 | 0.80 | MAP3K5 (0.56) | MAP3K5ROCK2KDM4ENPC1ALDH1A1 | |
| SCHEMBL2947671 | 0.78 | MAP3K5 (0.64) | MAP3K5PIK3CAKDM4ENPC1ALDH1A1 | |
| SCHEMBL17065998 | 0.77 | MAP3K5 (0.53) | MAP3K5ROCK2KDM4ENPC1ALDH1A1 | |
| SCHEMBL14247285 | 0.77 | MAP3K5 (0.61) | MAP3K5ROCK2KDM4ENPC1ALDH1A1 | |
| SCHEMBL31286733 | 0.75 | MAP3K5 (0.47) | MAP3K5ROCK2KDM4ESMN1; SMN2 | |
| SCHEMBL31286952 | 0.74 | SMN1; SMN2 (0.50) | MAP3K5KDM4EALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL1302695 | 0.74 | MAP3K5 (0.46) | MAP3K5PIK3CANPC1ALDH1A1POLB | |
| SCHEMBL14318039 | 0.74 | MAP3K5 (0.62) | MAP3K5ROCK2NPC1RAB9ASMN1; SMN2 |
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-2015134171-A1 | HETEROARYLAMIDE INHIBITORS OF TBK1 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-09-11 | — | — | WO | disclosed |