Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 4/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24799761 | 0.80 | AGBL2 (0.35) | CYP2A6 | |
| SCHEMBL22208367 | 0.80 | SMN1; SMN2 (0.36) | KDM4EKAT2BCYP2A6 | |
| SCHEMBL23473992 | 0.80 | KDM4E (0.39) | KDM4EIKBKBNOS3NOS1NOS2 | |
| SCHEMBL12650355 | 0.77 | IKBKB (0.40) | KDM4EIKBKBNOS3NOS1NOS2 | |
| SCHEMBL14232405 | 0.73 | IKBKB (0.53) | KDM4EIKBKBNOS3NOS1NOS2 | |
| SCHEMBL8274148 | 0.71 | MRGPRX1 (0.33) | CYP1A2 | |
| SCHEMBL30362436 | 0.71 | MRGPRX1 (0.33) | CYP1A2 | |
| SCHEMBL22224017 | 0.68 | CYP2A6 (0.34) | KDM4ECYP2A6 | |
| SCHEMBL19699901 | 0.68 | CYP2A6 (0.34) | KDM4ECYP2A6CYP1A2 | |
| SCHEMBL22224009 | 0.67 | KDM4E (0.41) | KDM4EIKBKBNOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020146858-A1 | HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME | ACCRO BIOSCIENCE INC. (KY) | 2020-07-16 | — | — | WO | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| EP-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | 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-20120010247-A1 | BICYCLIC COMPOUND | ACACA, CPT1B, ACACB | KDM4E 1415/4885IKBKB 599/4885NOS3 1584/4885 |
“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.