Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20061523 | 0.96 | ALDH1A1 (0.41) | ALDH1A1GAAHTTKMT2AMEN1 | |
| SCHEMBL20061521 | 0.84 | ALDH1A1 (0.44) | ALDH1A1GAAKMT2AMEN1NPSR1 | |
| SCHEMBL20061443 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GAAKMT2AMEN1NPSR1 | |
| SCHEMBL20061519 | 0.82 | ALDH1A1 (0.42) | ALDH1A1GAAKMT2ANPSR1LMNA | |
| SCHEMBL20061531 | 0.80 | ALDH1A1 (0.42) | ALDH1A1GAAKMT2ANPSR1LMNA | |
| SCHEMBL20061327 | 0.75 | GAA (0.50) | ALDH1A1GAALMNASMN1; SMN2CYP1A2 | |
| SCHEMBL20061525 | 0.73 | PIK3CD (0.51) | — | |
| SCHEMBL14136911 | 0.68 | TNIK (0.44) | ALDH1A1GAALMNASMN1; SMN2CYP1A2 | |
| SCHEMBL2798499 | 0.68 | ALDH1A1 (0.51) | ALDH1A1GAAHTTMEN1NPSR1 | |
| SCHEMBL2800737 | 0.68 | SMN1; SMN2 (0.48) | ALDH1A1GAAKMT2AMEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-107690433-B | Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition for preventing or treating PI3 kinase-associated diseases comprising the same as active ingredient | 韩国化学研究院 | 2021-04-09 | — | — | CN | disclosed |
| EP-3312175-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2018-04-25 | — | — | EP | disclosed |
| US-20180105527-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2018-04-19 | — | — | US | disclosed |
| US-20180105527-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2018-04-19 | — | — | 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-20180105527-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | WEE2, WEE1, ITK | ALDH1A1 3247/4885GAA 2392/4885HTT 444/4885 |
“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.