Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6697241 | 0.91 | LMNA (0.48) | L3MBTL1CYP2C19SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6179339 | 0.90 | GAA (0.43) | ROCK2CYP2C19SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6177877 | 0.87 | MAPT (0.41) | L3MBTL1CYP2C19SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6700944 | 0.86 | ROCK2 (0.42) | PIK3CAROCK2HPGDSNAMPTRORC | |
| SCHEMBL6179238 | 0.84 | MMP13 (0.41) | LMNANAMPT | |
| SCHEMBL6175040 | 0.76 | GAA (0.50) | ROCK2L3MBTL1CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL5697054 | 0.76 | NR1H2 (0.42) | MEN1KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL5697089 | 0.76 | SRD5A1 (0.35) | MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL6174514 | 0.76 | GAA (0.46) | ROCK2SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL6248132 | 0.73 | SRD5A1 (0.34) | MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20040044000-A1 | Isoquinoline derivatives as matrix metalloproteinase inhibitors | BUNKER AMY MAE (US) | 2004-03-04 | — | — | 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-20040044000-A1 | Isoquinoline derivatives as matrix metalloproteinase inhibitors | MMP1, MMP13, MMP9 | PIK3CA 2647/4885ROCK2 47/4885HPGDS 491/4885 |
“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.