Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | ANPEP | P15144 | 5/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TDP2 | O95551 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11503342 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP2A6MAOADRD2DRD1 | |
| SCHEMBL1143178 | 0.70 | CYP1A2 (0.40) | CYP1A2CYP2A6MAOADRD2DRD1 | |
| SCHEMBL9394933 | 0.70 | CYP1A2 (0.41) | CYP1A2CYP2A6MAOAANPEPCES1 | |
| SCHEMBL29648478 | 0.70 | CYP1A2 (0.41) | CYP1A2CYP2A6MAOAANPEPCES1 | |
| SCHEMBL30640267 | 0.69 | CYP1A2 (0.39) | CYP1A2CYP2A6MAOAALOX15MAOB | |
| SCHEMBL8131373 | 0.69 | CYP1A2 (0.39) | CYP1A2CYP2A6MAOAALOX15MAOB | |
| SCHEMBL29881712 | 0.67 | — | — | |
| SCHEMBL22081972 | 0.67 | CYP1A2 (0.62) | CYP1A2CYP2A6MAOACES1DRD2 | |
| SCHEMBL109650 | 0.67 | CYP1A2 (0.62) | CYP1A2CYP2A6MAOACES1DRD2 | |
| SCHEMBL1525601 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8039500-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | disclosed |
| EP-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008082003-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-10 | — | — | 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 (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-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | CRHR1, CRHR2, CRH | CYP1A2 600/4885CYP2A6 1011/4885MAOA 284/4885 |
“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.