Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TAF1 | P21675 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7239087 | 0.77 | ELANE (0.41) | ALDH1A1KDM4EBRD4TAF1BRPF1 | |
| SCHEMBL861748 | 0.73 | LMNA (0.43) | ALDH1A1KDM4EHTTLMNAMAPT | |
| SCHEMBL2300077 | 0.69 | KEAP1 (0.43) | ALDH1A1KDM4EMAPTTSHRGAA | |
| SCHEMBL2494146 | 0.69 | ITGB3 (0.51) | MAPT | |
| SCHEMBL853110 | 0.68 | ITGB3 (0.51) | ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL2302810 | 0.67 | TACR1 (0.41) | ALDH1A1TSHRGAAL3MBTL1 | |
| SCHEMBL21615134 | 0.67 | BRD4 (0.61) | BRD4TAF1BRPF1CREBBPCECR2 | |
| SCHEMBL2301833 | 0.67 | SLC6A2 (0.54) | TSHR | |
| SCHEMBL12380647 | 0.67 | HSD17B10 (0.50) | ALDH1A1KDM4EHTTLMNAMAPT | |
| SCHEMBL7178642 | 0.67 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPTTSHRHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6514997-B2 | Block the activity of picornaviral 3C protease | AGOURON PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |
| US-20010047006-A1 | Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. | 2001-11-29 | — | — | 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-20010047006-A1 | Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis | RNASE1, SERPINB1, RNASEH1 | ALDH1A1 3180/4885KDM4E 2980/4885HTT 3439/4885 |
“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.