Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | PPARD | Q03181 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 6/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3904366 | 0.87 | CA12 (0.52) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL11384995 | 0.87 | MAOB (0.48) | PPARDMAOB | |
| SCHEMBL632103 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL29664618 | 0.85 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL5145630 | 0.83 | PKM (0.59) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL538994 | 0.83 | KMT2A (0.55) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL11044502 | 0.83 | PPARD (0.55) | ALDH1A1CA12CA1CA2TSHR | |
| SCHEMBL538636 | 0.83 | PPARD (0.58) | TSHRPPARDMAOBMCL1 | |
| SCHEMBL9501941 | 0.83 | HPGD (0.62) | ALDH1A1PPARDESR2CYP3A4GAA | |
| SCHEMBL3658911 | 0.82 | PPARD (0.54) | ALDH1A1CA12CA1CA2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20030186967-A1 | Acylresorcinol derivatives are selective vitronectin receptor inhibitors | AMERICAN HOME PRODUCTS CORPORATION (US) | 2003-10-02 | — | — | US | disclosed |
| US-6586187-B1 | 2-benzyloxycarbonylamino-3-(2-(4-(2-(3-benzylureido)-ethyl) -piperazin-1-yl)acetylamino)-propionic acid, for example; method of synthesis using Wang resins; various uses including anticancer, antiinflammatory and antiviral agents | WYETH | 2003-07-01 | — | — | US | disclosed |
| WO-2000061545-A1 | METHODS FOR SOLID PHASE COMBINATORIAL SYNTHESIS OF INTEGRIN INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-10-19 | — | — | WO | disclosed |
| WO-1999052879-A1 | ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-10-21 | — | — | WO | 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-20030186967-A1 | Acylresorcinol derivatives are selective vitronectin receptor inhibitors | ASGR1, TEK, APLNR | ALDH1A1 2356/4885CA12 4760/4885CA1 4872/4885 |
“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.