Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15973848 | 0.93 | PKM (0.36) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL15973183 | 0.91 | ALDH1A1 (0.38) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL9219742 | 0.90 | CYP4F2 (0.40) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL10708309 | 0.83 | CYP4F2 (0.36) | ALDH1A1LMNAPKMKDM4ECYP4F2 | |
| SCHEMBL10028034 | 0.82 | ALDH1A1 (0.39) | ALDH1A1PKMKDM4ECYP4F2CYP4A11 | |
| SCHEMBL10486329 | 0.82 | CYP4F2 (0.38) | ALDH1A1LMNAHSD17B10PKMKDM4E | |
| SCHEMBL20565137 | 0.81 | NFKB1 (0.38) | ALDH1A1PKMKDM4ECYP4F2CYP4A11 | |
| SCHEMBL16732122 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KDM4ECYP4F2CYP4A11THRB | |
| SCHEMBL15910254 | 0.78 | CYP4F2 (0.39) | PKMCYP4F2CYP4A11THRBHTT | |
| SCHEMBL11017860 | 0.76 | CYP1A2 (0.42) | ALDH1A1LMNAPKMCYP4F2CYP4A11 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461337-B1 | PYRIDO¬2,1-A ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-10-14 | — | — | EP | disclosed |
| US-6897222-B2 | Pyrido[2,1-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-05-24 | — | — | US | disclosed |
| EP-1461337-A1 | PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-29 | — | — | EP | disclosed |
| US-20040176406-A1 | Pyrido [2,1-a] isoquinoline derivatives | GOBBI LUCA CLAUDIO (CH) | 2004-09-09 | — | — | US | disclosed |
| US-6727261-B2 | BENZO(A)QUINOLIZINE DERIVATIVES FOR DIABETES AND NON-ISULIN DEPENDENT DIABETES TREATMENT | HOFFMAN-LA ROCHE INC. | 2004-04-27 | — | — | US | disclosed |
| US-20030149071-A1 | Pyrido [2,1-a] isoquinoline derivatives | HOFFMANN-LA ROCHE INC. | 2003-08-07 | — | — | US | disclosed |
| WO-2003055881-A1 | PYRIDO(2,1-A)ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-07-10 | — | — | 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-20030149071-A1 | Pyrido [2,1-a] isoquinoline derivatives | DPP4, DPP7, DPP3 | ALDH1A1 84/4885LMNA 4651/4885HSD17B10 1095/4885 |
| US-20040176406-A1 | Pyrido [2,1-a] isoquinoline derivatives | DPP4, DPP7, DPP3 | ALDH1A1 84/4885LMNA 4651/4885HSD17B10 1095/4885 |
“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.