Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 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 | |
|---|---|---|---|---|
| SCHEMBL23340492 | 0.90 | ALDH1A1 (0.43) | RAB9ATSHRALDH1A1HTTPTGS2 | |
| SCHEMBL23340549 | 0.86 | RAB9A (0.38) | NLRP3RAB9ANPC1TSHRALDH1A1 | |
| SCHEMBL23340547 | 0.86 | RAB9A (0.50) | EGFRRAB9ANPC1TSHRALDH1A1 | |
| SCHEMBL23340505 | 0.85 | PTK2 (0.44) | NLRP3RAB9ANPC1GRM2TSHR | |
| SCHEMBL23340490 | 0.84 | TSHR (0.43) | EGFRRAB9ANPC1BRD4TSHR | |
| SCHEMBL23340624 | 0.84 | NUDT5 (0.44) | NLRP3EGFRRAB9ANPC1TSHR | |
| SCHEMBL23340548 | 0.83 | RAB9A (0.40) | NLRP3RAB9ANPC1TSHRALDH1A1 | |
| SCHEMBL23340635 | 0.83 | PTK2 (0.43) | EGFRRAB9ATSHRALDH1A1HTT | |
| SCHEMBL23340632 | 0.82 | SMN1; SMN2 (0.41) | NLRP3RAB9ANPC1TSHRALDH1A1 | |
| SCHEMBL23340324 | 0.80 | RAB9A (0.41) | RAB9ANPC1TSHRALDH1A1HTT |
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-20210128566-A1 | NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE | THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) | 2021-05-06 | — | — | 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 (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-20210128566-A1 | NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE | ADORA2A, HPRT1, PNP | NLRP3 1297/4885EGFR 1556/4885RAB9A 2609/4885 |
“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.