Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11344317 | 0.85 | ALDH1A1 (0.46) | ALDH1A1KMT2AKDM4EHTTSMN1; SMN2 | |
| SCHEMBL7215334 | 0.76 | MEN1 (0.60) | ALDH1A1KMT2AHTTCYP2D6POLB | |
| SCHEMBL4068624 | 0.74 | BRAF (0.51) | ALDH1A1KMT2AKDM4EHTTBRAF | |
| SCHEMBL8353558 | 0.72 | DHFR (0.45) | ALDH1A1KDM4EBRAFGLAGAA | |
| SCHEMBL10048217 | 0.69 | PLA2G7 (0.56) | ALDH1A1KMT2AHTTCYP2D6MEN1 | |
| SCHEMBL15206489 | 0.68 | EGLN1 (0.53) | MAPK14 | |
| SCHEMBL4069252 | 0.68 | POLB (0.44) | ALDH1A1KMT2AKDM4EHTTSMN1; SMN2 | |
| SCHEMBL26790950 | 0.68 | BRAF (0.61) | ALDH1A1KMT2AKDM4EHTTSMN1; SMN2 | |
| SCHEMBL13359491 | 0.67 | CACNA1G (0.57) | ALDH1A1KMT2AMAPK14 | |
| SCHEMBL9118024 | 0.67 | CYP3A4 (0.51) | ALDH1A1KMT2AKDM4EHTTSMN1; 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 | ALDH1A1 2484/4885KMT2A 957/4885KDM4E 2157/4885 |
| 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 2195/4885KMT2A 961/4885KDM4E 2170/4885 |
| 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 | ALDH1A1 2304/4885KMT2A 1102/4885KDM4E 2340/4885 |
| 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 2484/4885KMT2A 957/4885KDM4E 2157/4885 |
“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.