Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 10/20 | 0.61 |
| ▸ | CHUK | O15111 | 7/20 | 0.60 |
| ▸ | NAMPT | P43490 | 3/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13087926 | 0.94 | IKBKB (0.69) | IKBKBCHUKNAMPTNAAAALDH1A1 | |
| SCHEMBL13087829 | 0.91 | IKBKB (0.62) | IKBKBCHUKNAMPTCYP11B1ALDH1A1 | |
| SCHEMBL13088172 | 0.90 | IKBKB (0.49) | IKBKBCHUKCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL13087953 | 0.90 | IKBKB (0.58) | IKBKBCHUKNAMPTCYP17A1CYP21A2 | |
| SCHEMBL13088195 | 0.90 | IKBKB (0.56) | IKBKBCHUKNAMPTCYP17A1CYP21A2 | |
| SCHEMBL13087678 | 0.90 | IKBKB (0.60) | IKBKBCHUKNAMPTALDH1A1TSHR | |
| SCHEMBL13087946 | 0.89 | IKBKB (0.55) | IKBKBCHUKNAMPTALDH1A1CYP2C9 | |
| SCHEMBL13087957 | 0.88 | IKBKB (0.47) | IKBKBCHUKNAMPTCYP17A1CYP21A2 | |
| SCHEMBL13087665 | 0.88 | IKBKB (0.59) | IKBKBCHUKNAMPTNAAAALDH1A1 | |
| SCHEMBL13087952 | 0.88 | IKBKB (0.56) | IKBKBCHUKNAMPTNAAAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8299055-B2 | 8-substituted isoquinoline derivative and the use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-10-30 | — | — | US | disclosed |
| US-8299055-B2 | 8-substituted isoquinoline derivative and the use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-10-30 | — | — | US | disclosed |
| US-20100261701-A1 | 8-Substituted isoquinoline derivative and the use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-10-14 | — | — | US | disclosed |
| US-20100261701-A1 | 8-Substituted isoquinoline derivative and the use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-10-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100261701-A1 | 8-Substituted isoquinoline derivative and the use thereof | RELA, NFKBIA, NFKB2 | IKBKB 7/4885CHUK 17/4885NAMPT 2852/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.