Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | IGLV6-57 | P01721 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL15172676 | 0.89 | S100B (0.49) | S100BTDP1ALDH1A1CASP1CYP3A4 | |
| Fluoride SCHEMBL2328935 | 0.87 | S100B (0.47) | S100BTDP1ALDH1A1CASP1CYP3A4 | |
| SCHEMBL7100535 | 0.85 | S100B (0.72) | S100BTDP1ALDH1A1IGLV6-57CYP3A4 | |
| SCHEMBL538824 | 0.84 | S100B (0.71) | S100BTDP1ALDH1A1CASP1IGLV6-57 | |
| SCHEMBL16970730 | 0.83 | S100B (0.46) | S100BTDP1ALDH1A1CASP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL28014076 | 0.82 | S100B (0.69) | S100BTDP1ALDH1A1CASP1IGLV6-57 | |
| SCHEMBL24220504 | 0.82 | S100B (0.47) | S100BTDP1ALDH1A1IGLV6-57S1PR1 | |
| SCHEMBL28245671 | 0.80 | S100B (0.51) | S100BTDP1ALDH1A1CASP1IGLV6-57 | |
| SCHEMBL6753912 | 0.80 | S100B (0.51) | S100BTDP1ALDH1A1CASP1IGLV6-57 | |
| SCHEMBL24720187 | 0.79 | S100B (0.64) | S100BTDP1ALDH1A1IGLV6-57CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7714009-B2 | Nitrogen-containing fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-11 | — | — | US | disclosed |
| US-20070135452-A1 | Nitrogen-containing fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-06-14 | — | — | US | 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-20070135452-A1 | Nitrogen-containing fused heterocyclic compounds | NPY4R, NR4A3, NR3C2 | S100B 1979/4885TDP1 4581/4885ALDH1A1 2513/4885 |
“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.