Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20706300 | 0.84 | ADRB2 (0.50) | ADRB2ADRB1AOC3NISCHTSHR | |
| SCHEMBL17755100 | 0.81 | ADRB2 (0.40) | ADRB2ADRB1AOC3NISCHHIF1A | |
| SCHEMBL19518928 | 0.78 | TSHR (0.59) | ADRB2ADRB1AOC3NISCHTSHR | |
| SCHEMBL17790152 | 0.78 | TSHR (0.59) | ADRB2ADRB1AOC3NISCHTSHR | |
| SCHEMBL3789761 | 0.78 | TSHR (0.59) | ADRB2ADRB1AOC3NISCHTSHR | |
| SCHEMBL17755097 | 0.77 | ADRB2 (0.40) | ADRB2ADRB1AOC3NISCHTSHR | |
| SCHEMBL12120635 | 0.77 | ADRB2 (0.40) | ADRB2ADRB1AOC3NISCHTSHR | |
| SCHEMBL2696923 | 0.77 | TSHR (0.42) | ADRB2ADRB1TSHRCYP2D6CYP3A4 | |
| SCHEMBL6643908 | 0.77 | NISCH (0.44) | ADRB2ADRB1AOC3NISCHTSHR | |
| SCHEMBL18925051 | 0.76 | TP53 (0.55) | CYP3A4CYP1A2LMNAIDO1TDO2 |
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-11008339-B2 | Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2021-05-18 | — | — | US | disclosed |
| US-20210015100-A1 | SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2021-01-21 | — | — | US | disclosed |
| US-20180141961-A1 | Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof | SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) | 2018-05-24 | — | — | 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 (3 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-20210015100-A1 | SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF | GART, BROX, APRT | ADRB2 2650/4885ADRB1 1626/4885AOC3 309/4885 |
| US-20180141961-A1 | Substituted Pyrazole Compounds Containing Pyrimidine and Preparation Method and Use Thereof | APRT, GART, PNP | ADRB2 1413/4885ADRB1 1100/4885AOC3 124/4885 |
| US-11008339-B2 | Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof | APRT, GART, PNP | ADRB2 1413/4885ADRB1 1100/4885AOC3 124/4885 |
“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.