Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 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 | |
|---|---|---|---|---|
| SCHEMBL2393577 | 0.80 | RXRA (0.38) | ALDH1A1KDM4ESMN1; SMN2PIN1NUDT1 | |
| SCHEMBL23836782 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2PIN1GAA | |
| SCHEMBL19907125 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2PIN1GAA | |
| SCHEMBL20101545 | 0.79 | MEN1 (0.34) | ALDH1A1KDM4ESMN1; SMN2PIN1GAA | |
| SCHEMBL31533165 | 0.79 | MEN1 (0.34) | ALDH1A1KDM4ESMN1; SMN2PIN1GAA | |
| SCHEMBL2437490 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2PIN1GAA | |
| SCHEMBL30786798 | 0.79 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2PIN1GAA | |
| SCHEMBL24529613 | 0.78 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2PIN1GAA | |
| SCHEMBL24387164 | 0.76 | LMNA (0.35) | ALDH1A1KDM4ESMN1; SMN2NUDT1KMT2A | |
| SCHEMBL24386913 | 0.76 | NUDT1 (0.35) | SMN1; SMN2NUDT1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022132696-A1 | UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022094012-A1 | MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-05 | — | — | WO | disclosed |
| US-20210292283-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-09-23 | — | — | 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-9988373-B2 | Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2018-06-05 | — | — | US | disclosed |
| US-9988373-B2 | Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2018-06-05 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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 | ALDH1A1 2484/4885KDM4E 2157/4885SMN1; SMN2 3478/4885 |
| 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 | ALDH1A1 2195/4885KDM4E 2170/4885SMN1; SMN2 3496/4885 |
| 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 | ALDH1A1 2484/4885KDM4E 2157/4885SMN1; SMN2 3478/4885 |
“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.