Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6385743 | 1.00 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL6386400 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL6386238 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL4701490 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL6385238 | 0.88 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL6391808 | 0.87 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL6385891 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL6385898 | 0.86 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM | |
| SCHEMBL6385280 | 0.85 | GAA (0.38) | ALDH1A1CYP2C19KMT2ATDP1MEN1 | |
| SCHEMBL6387583 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2C19PKM |
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-20050245503-A1 | Therapeutic heterocycles | ASTRAZENECA AB (SE) | 2005-11-03 | — | — | US | claimed |
| US-20050245503-A1 | Therapeutic heterocycles | ASTRAZENECA AB (SE) | 2005-11-03 | — | — | 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-20050245503-A1 | Therapeutic heterocycles | OPRK1, RECQL, OPRM1 | ALDH1A1 2117/4885CYP1A2 139/4885CYP3A4 488/4885 |
“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.