Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25827062 | 0.80 | CYP3A4 (0.69) | P2RX7CYP3A4HPGDLMNASMN1; SMN2 | |
| SCHEMBL19485375 | 0.80 | CYP3A4 (0.53) | P2RX7CYP3A4HPGDLMNASMN1; SMN2 | |
| SCHEMBL8216074 | 0.77 | DPP4 (0.57) | P2RX7CYP3A4GRIN1GRIN2BHPGD | |
| SCHEMBL219049 | 0.75 | ALDH1A1 (0.43) | P2RX7CYP3A4HPGDLMNASMN1; SMN2 | |
| SCHEMBL4847620 | 0.75 | ALDH1A1 (0.50) | CYP3A4LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL27383556 | 0.74 | CYP3A4 (0.54) | P2RX7CYP3A4HPGDLMNASMN1; SMN2 | |
| SCHEMBL221044 | 0.73 | ALDH1A1 (0.58) | P2RX7CYP3A4HPGDLMNASMN1; SMN2 | |
| SCHEMBL8210057 | 0.72 | DPP4 (0.58) | P2RX7CYP3A4HPGDLMNAALDH1A1 | |
| SCHEMBL8220276 | 0.72 | DPP4 (0.58) | CYP3A4ALDH1A1DPP4 | |
| SCHEMBL27385988 | 0.72 | CYP3A4 (0.52) | P2RX7CYP3A4HPGDLMNASMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210292283-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-09-23 | — | — | US | disclosed |
| US-11124486-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2021-09-21 | — | — | US | disclosed |
| US-10774051-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2020-09-15 | — | — | US | disclosed |
| US-20180118694-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2018-05-03 | — | — | US | disclosed |
| US-20180118694-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2018-05-03 | — | — | US | disclosed |
| EP-3287443-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Shionogi & Co., Ltd (JP) | 2018-02-28 | — | — | 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 (4 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-20180118694-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S | P2RX7 1497/4885CYP3A4 155/4885GRIN1 1882/4885 |
| US-20210292283-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S | P2RX7 1458/4885CYP3A4 169/4885GRIN1 1487/4885 |
| US-11124486-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S | P2RX7 1324/4885CYP3A4 131/4885GRIN1 1876/4885 |
| US-10774051-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, C1S | P2RX7 1497/4885CYP3A4 155/4885GRIN1 1882/4885 |
“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.