Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447200 | 0.82 | CYP2A13 (0.70) | CYP2A13ALDH1A1ATMTSHRRECQL | |
| SCHEMBL18356563 | 0.81 | ALDH1A1 (0.71) | CYP2A13ALDH1A1ATMTSHRRECQL | |
| SCHEMBL6818375 | 0.79 | ALDH1A1 (0.69) | CYP2A13ALDH1A1ATMTSHRRECQL | |
| SCHEMBL4100083 | 0.78 | CYP2A13 (1.00) | CYP2A13ALDH1A1ATMTSHRRECQL | |
| SCHEMBL28594898 | 0.78 | KMT2A (0.66) | CYP2A13ALDH1A1KDM4ELMNA | |
| SCHEMBL2931838 | 0.78 | HTR6 (0.69) | CYP2A13ALDH1A1ATMTSHRRECQL | |
| SCHEMBL4060263 | 0.78 | CYP2A13 (0.64) | CYP2A13ALDH1A1KDM4E | |
| SCHEMBL4103976 | 0.78 | CYP2A13 (1.00) | CYP2A13ALDH1A1ATMKDM4ELMNA | |
| SCHEMBL2925269 | 0.78 | CYP2A13 (0.64) | CYP2A13ALDH1A1ATMTSHRRECQL | |
| SCHEMBL7205351 | 0.76 | MPO (0.72) | CYP2A13ALDH1A1KDM4EFAAH |
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-1020445-B1 | FUSED PYRIDINE DERIVATIVES | EISAI R&D MAN CO LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-6875761-B2 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. (JP) | 2005-04-05 | — | — | US | disclosed |
| US-20040204421-A1 | Certain 1,3-disubstituted isoquinoline derivatives | EISAI CO., LTD. | 2004-10-14 | — | — | US | disclosed |
| US-6790844-B2 | MUSCLE RELAXANTS; ANTISEROTONINE AGENT | EISAI CO., LTD (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20020013460-A1 | Condensed pyridine compound | EISAI CO., LTD | 2002-01-31 | — | — | US | disclosed |
| US-6340759-B1 | ANTISPASMODIC AGENTS | EISAI CO., LTD. (JP) | 2002-01-22 | — | — | US | disclosed |
| EP-1020445-A1 | FUSED PYRIDINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-07-19 | — | — | EP | 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-20020013460-A1 | Condensed pyridine compound | MUSK, HTR1A, PAX3 | CYP2A13 2520/4885ALDH1A1 2989/4885ATM 2092/4885 |
| US-20040204421-A1 | Certain 1,3-disubstituted isoquinoline derivatives | MUSK, HTR1A, RYR1 | CYP2A13 3380/4885ALDH1A1 1071/4885ATM 1791/4885 |
“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.