Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | RHEB | Q15382 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3784828 | 0.88 | KCNH2 (0.43) | ALDH1A1KCNH2KDM4ECYP3A4TP53 | |
| SCHEMBL15473230 | 0.82 | KDM4E (0.38) | ALDH1A1RHEBTSHRKDM4ECYP1A2 | |
| SCHEMBL301808 | 0.82 | ALDH1A1 (0.41) | ALDH1A1RHEBKCNH2TSHRKDM4E | |
| SCHEMBL2737124 | 0.81 | LMNA (0.43) | ALDH1A1KCNH2TSHRTDP1SMN1; SMN2 | |
| SCHEMBL18071645 | 0.81 | KDM4E (0.37) | ALDH1A1RHEBTSHRKDM4ECYP1A2 | |
| SCHEMBL12958135 | 0.81 | KDM4E (0.37) | ALDH1A1RHEBTSHRKDM4ECYP1A2 | |
| SCHEMBL3789902 | 0.80 | L3MBTL1 (0.39) | KCNH2TSHRKDM4ECYP1A2CYP2C19 | |
| SCHEMBL8653715 | 0.80 | GRIA1 (0.48) | ALDH1A1RHEBTSHRKDM4ECYP1A2 | |
| SCHEMBL5822903 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TSHRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL3790638 | 0.78 | KCNH2 (0.45) | ALDH1A1KCNH2TSHRKDM4ECYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220048915-A1 | Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2022-02-17 | — | — | 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-20220048915-A1 | Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof | MAPK11, WEE1, NOS1 | ALDH1A1 3002/4885RHEB 1019/4885KCNH2 3239/4885 |
“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.