Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.44 |
| ▸ | CES1 | P23141 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.36 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.36 |
| ▸ | TUBA1A | Q71U36 | 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 | |
|---|---|---|---|---|
| SCHEMBL4779756 | 0.85 | HSD17B10 (0.49) | CES2CES1HTTTUBB1ALDH1A1 | |
| SCHEMBL5435743 | 0.85 | HTT (0.40) | HTTTUBB1ALDH1A1CYP3A4HPGD | |
| SCHEMBL18393199 | 0.83 | KDM4E (0.45) | CES2CES1TUBB1ALDH1A1HPGD | |
| SCHEMBL1748027 | 0.83 | CNR1 (0.39) | CES2CES1HTTTUBB1ALDH1A1 | |
| SCHEMBL24720833 | 0.81 | HSD17B10 (0.50) | HTTTUBB1ALDH1A1CYP3A4HPGD | |
| SCHEMBL1748528 | 0.81 | ALDH1A1 (0.41) | HTTALDH1A1CYP3A4HPGDMAPK1 | |
| SCHEMBL10743858 | 0.81 | ABCB11 (0.41) | HTTTUBB1ALDH1A1CYP3A4HPGD | |
| SCHEMBL30930876 | 0.81 | HSD17B10 (0.50) | HTTTUBB1ALDH1A1CYP3A4HPGD | |
| SCHEMBL716976 | 0.78 | PTGDR2 (0.44) | CES2CES1HPGDMAOB | |
| SCHEMBL4726807 | 0.78 | TSHR (0.47) | ALDH1A1HPGDMAPK1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019063748-A1 | ROR-GAMMA INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-04-04 | — | — | WO | disclosed |
| WO-2019063748-A1 | ROR-GAMMA INHIBITORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-04-04 | — | — | WO | disclosed |
| EP-3107900-B1 | 5-BENZYLISOQUINOLEINE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | SERVIER LAB (FR) | 2017-11-15 | — | — | EP | disclosed |
| US-9809553-B2 | Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them | LES LABORATOIRES SERVIER (FR) | 2017-11-07 | — | — | US | disclosed |
| US-9809553-B2 | Isoquinoline compounds, a process for their preparation, and pharmaceutical compositions containing them | LES LABORATOIRES SERVIER (FR) | 2017-11-07 | — | — | US | disclosed |
| US-20170137385-A1 | ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2017-05-18 | — | — | US | disclosed |
| US-20170137385-A1 | ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2017-05-18 | — | — | US | disclosed |
| WO-2015124877-A1 | DERIVATIVES OF 5-BENZYLISOQUINOLINE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES | LES LABORATOIRES SERVIER (FR) | 2015-08-27 | — | — | WO | disclosed |
| EP-1175400-B1 | RENIN INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | disclosed |
| US-6673931-B2 | (4-(4-(3-(2-METHOXY-BENZYLOXY)-PROPOXY)-PHENYL)-5-(4-METHOXY -NAPHTHALEN-2-YLMETHOXY)-PIPERIDIN-3-YL)-METHANOL FOR EXAMPLE; USE TREATING RESTENOSIS, GLAUCOMA, CARDIAC AND KIDNEY INSUFFICIENCY | HOFFMAN-LA ROCHE INC. | 2004-01-06 | — | — | US | disclosed |
| US-20020087002-A1 | Naphthalenyl piperidines as renin inhibitors | NOVARTIS AG (CH) | 2002-07-04 | — | — | US | disclosed |
| US-6376672-B1 | RESTENOSIS; VISION DEFECTS; CARDIOVASCULAR DISORDERS; KIDNEY DIEASES | HOFFMANN-LA ROCHE INC. | 2002-04-23 | — | — | US | disclosed |
| EP-1175400-A1 | RENIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000064873-A1 | RENIN INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-11-02 | — | — | 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 (2 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-20020087002-A1 | Naphthalenyl piperidines as renin inhibitors | REN, TNNI3, PTGIS | CES2 2840/4885CES1 1645/4885HTT 2159/4885 |
| US-20170137385-A1 | ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MYLK, MYLK2, MYLK3 | CES2 4479/4885CES1 3794/4885HTT 3543/4885 |
“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.