Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4590231 | 0.75 | CA1 (0.42) | ALDH1A1KDM4ETSHRHPGDHSD17B10 | |
| SCHEMBL5242678 | 0.72 | ACHE (0.37) | ACHEALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL141853 | 0.72 | ACHE (0.44) | ACHEALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL61989 | 0.71 | ACHE (0.39) | ACHEALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL30505692 | 0.71 | ACHE (0.39) | ACHEALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL1635785 | 0.71 | ACHE (0.52) | ACHEALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL29793327 | 0.71 | ACHE (0.52) | ACHEALDH1A1KDM4ETSHRHPGD | |
| Hydrochloric Acid SCHEMBL9739649 | 0.70 | ACHE (0.42) | ACHEALDH1A1KDM4ETSHRHPGD | |
| Ammonia Solution, Strong SCHEMBL27342870 | 0.70 | ALDH1A1 (0.44) | ACHEALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL7888860 | 0.69 | CA1 (0.50) | ALDH1A1KDM4ETSHRHPGDHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915288-B2 | 1-aryl-4-substituted isoquinolines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2011-03-29 | — | — | US | disclosed |
| EP-1745024-A4 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORP (US) | 2008-01-09 | — | — | EP | disclosed |
| US-20070249665-A1 | 1-aryl-4-substituted isoquinolines | NEUROGEN CORPORATION (US) | 2007-10-25 | — | — | US | disclosed |
| EP-1745024-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110991-A1 | 1-ARYL-4-SUBSTITUTED ISOQUINOLINES | NEUROGEN CORPORATION (US) | 2005-11-24 | — | — | 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-20070249665-A1 | 1-aryl-4-substituted isoquinolines | C3AR1, C5AR1, C5AR2 | ACHE 2561/4885ALDH1A1 1164/4885KDM4E 2418/4885 |
“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.