Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | MMP13 | P45452 | 2/20 | 0.49 |
| ▸ | FPR2 | P25090 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18617522 | 0.86 | ROCK2 (0.50) | ROCK2SMN1; SMN2FPR2NAMPTADORA3 | |
| SCHEMBL12459652 | 0.85 | ROCK2 (0.52) | ROCK2NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL31188529 | 0.85 | GAA (0.60) | ROCK2NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL21335657 | 0.83 | PLK1 (0.50) | ROCK2SMN1; SMN2FPR2NAMPTADORA3 | |
| SCHEMBL20671963 | 0.82 | ROCK2 (0.47) | ROCK2NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL3769508 | 0.82 | ROCK2 (0.49) | ROCK2SMN1; SMN2HTTFPR2NAMPT | |
| SCHEMBL18735743 | 0.82 | KLK1 (0.50) | ROCK2NPC1RAB9AFPR2NAMPT | |
| SCHEMBL31680532 | 0.81 | TAAR1 (0.55) | ROCK2NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL6451096 | 0.77 | FPR2 (0.55) | ROCK2SMN1; SMN2HTTFPR2ADORA3 | |
| SCHEMBL5630316 | 0.76 | FPR2 (0.54) | ROCK2SMN1; SMN2FPR2ADORA3ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1802636-B1 | PI3 KINASES INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2013-03-27 | — | — | EP | disclosed |