Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | CCR8 | P51685 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL597347 | 0.90 | KDM4E (0.52) | CYP2A6CYP2B6CYP2E1KDM4ECYP1A2 | |
| SCHEMBL29723603 | 0.90 | KDM4E (0.52) | CYP2A6CYP2B6CYP2E1KDM4ECYP1A2 | |
| SCHEMBL29984274 | 0.82 | KDM4E (0.68) | CYP2A6KDM4ECYP1A2LMNAPOLB | |
| SCHEMBL13458076 | 0.82 | KDM4E (0.68) | CYP2A6KDM4ECYP1A2LMNAPOLB | |
| SCHEMBL4359878 | 0.81 | CCR1 (0.51) | CYP2A6CYP2B6CYP2E1KDM4ECYP1A2 | |
| SCHEMBL30989133 | 0.79 | KDM4E (0.72) | CYP2A6KDM4ECYP1A2LMNAPOLB | |
| SCHEMBL30989132 | 0.79 | KDM4E (0.72) | CYP2A6KDM4ECYP1A2LMNAPOLB | |
| SCHEMBL1566968 | 0.79 | KDM4E (0.72) | CYP2A6KDM4ECYP1A2LMNAPOLB | |
| SCHEMBL28328948 | 0.78 | KDM4E (0.56) | CYP2A6KDM4ECYP1A2LMNAPOLB | |
| SCHEMBL21173034 | 0.78 | KDM4E (0.62) | CYP2A6KDM4ECYP1A2LMNAPOLB |
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-2168576-A2 | New utilities of tricyclic compounds | Shionogi & Co., Ltd. (JP) | 2010-03-31 | — | — | EP | disclosed |
| EP-2168576-A2 | New utilities of tricyclic compounds | Shionogi & Co., Ltd. (JP) | 2010-03-31 | — | — | EP | disclosed |
| US-20080318958-A1 | New utilities of tricyclic compounds | ISHIZUKA NATSUKI | 2008-12-25 | — | — | US | disclosed |
| US-20080318958-A1 | New utilities of tricyclic compounds | ISHIZUKA NATSUKI | 2008-12-25 | — | — | US | disclosed |
| US-20080318958-A1 | New utilities of tricyclic compounds | ISHIZUKA NATSUKI | 2008-12-25 | — | — | US | disclosed |
| US-20040235877-A1 | Novel use of tricyclic compound | SHIONOGI & CO., LTD. (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1426046-A1 | NOVEL USE OF TRICYCLIC COMPOUND | SHIONOGI & CO., LTD. (JP) | 2004-06-09 | — | — | 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-20040235877-A1 | Novel use of tricyclic compound | APOB, PON1, APOL1 | CYP2A6 180/4885CYP2B6 167/4885CYP2E1 131/4885 |
| US-20080318958-A1 | New utilities of tricyclic compounds | APOB, PON1, APOL1 | CYP2A6 119/4885CYP2B6 112/4885CYP2E1 169/4885 |
“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.