Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14344805 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4EGLASMN1; SMN2KEAP1 | |
| SCHEMBL259485 | 0.81 | GLA (0.47) | ALDH1A1KDM4EGLASMN1; SMN2PAOX | |
| SCHEMBL26579714 | 0.78 | GLA (0.52) | ALDH1A1KDM4EGLASMN1; SMN2MEN1 | |
| SCHEMBL3673101 | 0.76 | GLA (0.46) | ALDH1A1KDM4EGLASMN1; SMN2PAOX | |
| SCHEMBL13690376 | 0.76 | ALDH1A1 (0.48) | ALDH1A1KDM4EGLASMN1; SMN2KEAP1 | |
| SCHEMBL22874124 | 0.76 | ALDH1A1 (0.35) | ALDH1A1KDM4EGLASMN1; SMN2KEAP1 | |
| SCHEMBL791912 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4EGLASMN1; SMN2KEAP1 | |
| SCHEMBL154374 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4EGLASMN1; SMN2KEAP1 | |
| SCHEMBL7003667 | 0.75 | GLA (0.44) | ALDH1A1KDM4EGLASMN1; SMN2TSHR | |
| SCHEMBL11244061 | 0.75 | CA12 (0.47) | ALDH1A1KDM4EGLASMN1; SMN2KEAP1 |
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-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2018-03-22 | — | — | 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-20180079727-A1 | 9-MEMBERED FUSED RING DERIVATIVE | ACSS2, AGTR2, ACSL3 | ALDH1A1 365/4885KDM4E 2373/4885GLA 3283/4885 |
“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.