Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19612668 | 0.87 | TAS1R3 (0.42) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL10497400 | 0.86 | CTSA (0.45) | CASP1CTSA | |
| SCHEMBL7323445 | 0.83 | FEN1 (0.42) | CASP1ADRB2ADRB1ALDH1A1AOC3 | |
| SCHEMBL19612663 | 0.83 | CASP1 (0.41) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL12158738 | 0.82 | L3MBTL1 (0.55) | HIF1AALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL2632968 | 0.81 | NISCH (0.47) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL11058548 | 0.78 | MEN1 (0.45) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL6175652 | 0.77 | GABBR2 (0.47) | CYP2D6KCNQ2MEN1KMT2ALMNA | |
| SCHEMBL6173742 | 0.77 | GABBR2 (0.47) | CYP2D6KCNQ2MEN1KMT2ALMNA | |
| SCHEMBL6173747 | 0.77 | GABBR2 (0.47) | CYP2D6KCNQ2MEN1KMT2ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10174015-B2 | Substituted heterocyclic derivative, preparation method and use thereof | XIAMEN UNIVERSITY (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | XIAMEN UNIVERSITY (CN) | 2017-11-23 | — | — | US | disclosed |
| CN-107074788-A | Substituted heterocyclic derivatives, preparation method and application thereof | 厦门大学 | 2017-08-18 | — | — | CN | 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 (2 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-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | FAAH, NAAA, FAAH2 | CASP1 1466/4885ADRB2 1734/4885ADRB1 1001/4885 |
| US-10174015-B2 | Substituted heterocyclic derivative, preparation method and use thereof | DHPS, CYP3A5, CYP3A4 | CASP1 1451/4885ADRB2 2034/4885ADRB1 2146/4885 |
“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.