Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22825416 | 0.81 | KDM4E (0.31) | ALDH1A1 | |
| SCHEMBL22309471 | 0.79 | LMNA (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL22309482 | 0.78 | SCN4A (0.32) | — | |
| SCHEMBL22309469 | 0.76 | POLB (0.36) | — | |
| SCHEMBL22309527 | 0.76 | KDM4E (0.42) | ALDH1A1 | |
| SCHEMBL22309524 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL22309483 | 0.73 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL22309474 | 0.72 | BRD4 (0.37) | ALDH1A1 | |
| SCHEMBL22309517 | 0.66 | — | — | |
| SCHEMBL2629462 | 0.63 | ALDH1A1 (0.48) | ALDH1A1CYP3A4PTPN1HPGDCRHR1 |
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-20220009854-A1 | A SERIES OF CATALYSTS FOR THE HYPERPOLARISATION OF SUBSTRATES | UNIVERSITY OF YORK (GB) | 2022-01-13 | — | — | US | disclosed |
| US-20210154333-A1 | POLARISATION TRANSFER VIA A SECOND METAL COMPLEX | UNIVERSITY OF YORK (GB) | 2021-05-27 | — | — | US | disclosed |
| US-20200397923-A1 | HYPERPOLARISATION IN AQUEOUS MEDIA VIA SABRE | UNIVERSITY OF YORK (GB) | 2020-12-24 | — | — | US | disclosed |
| US-20200246491-A1 | HyperPolarising Substrates Through Relayed Transfer Via Systems Containing Exchangeable Protons | UNIVERSITY OF YORK (GB) | 2020-08-06 | — | — | 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 (4 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-20220009854-A1 | A SERIES OF CATALYSTS FOR THE HYPERPOLARISATION OF SUBSTRATES | SPR, YAP1, KRAS | ALDH1A1 1891/4885CYP3A4 698/4885PTPN1 3170/4885 |
| US-20200246491-A1 | HyperPolarising Substrates Through Relayed Transfer Via Systems Containing Exchangeable Protons | TSPO, RHOT2, KRAS | ALDH1A1 2261/4885CYP3A4 675/4885PTPN1 3870/4885 |
| US-20210154333-A1 | POLARISATION TRANSFER VIA A SECOND METAL COMPLEX | TSPO, SPR, TIMM50 | ALDH1A1 3970/4885CYP3A4 864/4885PTPN1 4705/4885 |
| US-20200397923-A1 | HYPERPOLARISATION IN AQUEOUS MEDIA VIA SABRE | KRAS, FH, HYOU1 | ALDH1A1 2889/4885CYP3A4 1613/4885PTPN1 3788/4885 |
“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.