Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | PREP | P48147 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18037451 | 0.91 | BCHE (0.58) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL16884608 | 0.90 | BCHE (0.56) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL18037450 | 0.89 | BCHE (0.56) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL29823151 | 0.89 | BCHE (0.56) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL299042 | 0.88 | BCHE (0.63) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL18037443 | 0.88 | BCHE (0.56) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL16884381 | 0.88 | BCHE (0.54) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL16884429 | 0.85 | BCHE (0.55) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL18037455 | 0.85 | BCHE (0.53) | BCHECYP3A4KMT2AALDH1A1MEN1 | |
| SCHEMBL18058575 | 0.84 | BCHE (0.56) | BCHECYP3A4KMT2AALDH1A1MEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427460-B1 | NOVEL ISOQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-26 | — | — | EP | disclosed |
| EP-2427460-B1 | NOVEL ISOQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-26 | — | — | EP | disclosed |
| US-8258149-B2 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-09-04 | — | — | US | disclosed |
| US-8258149-B2 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-09-04 | — | — | US | disclosed |
| US-8258149-B2 | Isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-09-04 | — | — | US | disclosed |
| EP-2427460-A1 | NOVEL ISOQUINOLINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |
| US-20100286396-A1 | NOVEL ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2010-11-11 | — | — | US | disclosed |
| US-20100286396-A1 | NOVEL ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2010-11-11 | — | — | US | disclosed |
| WO-2010128061-A1 | NOVEL ISOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286396-A1 | NOVEL ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2010-11-11 | — | — | US | disclosed |
| WO-2010128061-A1 | NOVEL ISOQUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | 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-20100286396-A1 | NOVEL ISOQUINOLINE DERIVATIVES | CYP3A7, RAB7A, IPO7 | BCHE 3051/4885CYP3A4 100/4885KMT2A 2132/4885 |
“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.