Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.35 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL34475539 | 1.00 | CHEK1 (0.35) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL28254 | 1.00 | CHEK1 (0.35) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL21573995 | 1.00 | CHEK1 (0.35) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL1829729 | 1.00 | CHEK1 (0.35) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL25231616 | 1.00 | CHEK1 (0.35) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL16877500 | 1.00 | CHEK1 (0.35) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL25229684 | 1.00 | CHEK1 (0.35) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL16878471 | 0.97 | CHEK1 (0.34) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL16878288 | 0.97 | CHEK1 (0.34) | CHEK1AURKARPS6KA5CHEK2MAPK3 | |
| SCHEMBL17797679 | 0.97 | CHEK1 (0.34) | CHEK1AURKARPS6KA5CHEK2MAPK3 |
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 |
|---|---|---|---|---|---|---|---|
| US-11195597-B2 | Method and device for calculating acid dissociation constant, and program | FUJITSU LIMITED (JP) | 2021-12-07 | — | — | US | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |