Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | STAT6 | P42226 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709859 | 0.87 | HSD17B10 (0.45) | TSHRALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL3362967 | 0.85 | CA2 (0.58) | TSHRALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL17478992 | 0.85 | ALDH1A1 (0.56) | TSHRALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL20766290 | 0.84 | TSHR (0.55) | TSHRALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL14683630 | 0.84 | TSHR (0.55) | TSHRALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL2642603 | 0.81 | CA2 (0.61) | TSHRALDH1A1HSD17B10HPGDLMNA | |
| SCHEMBL2642601 | 0.81 | LMNA (0.47) | TSHRALDH1A1HSD17B10LMNAPTGS2 | |
| SCHEMBL8350642 | 0.81 | LMNA (0.47) | TSHRALDH1A1HSD17B10LMNAPTGS2 | |
| SCHEMBL4941551 | 0.81 | PTGS2 (0.48) | TSHRALDH1A1HSD17B10HPGDPTGS2 | |
| SCHEMBL4935564 | 0.81 | PTGS2 (0.48) | TSHRALDH1A1HSD17B10HPGDPTGS2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110511173-B | Indole alkyl piperazine benzamide compound and application thereof | 复旦大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-105712952-B | 2-substituted oxy-5-methylsulfonyl phenyl piperazine amide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-105712952-A | 2-Substituted-phenyl-oxy-5-methylsulfonyl piperazine acidamide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-104211635-A | Piperidine compounds, and preparation method, pharmaceutical compositions and use thereof | SHANGHAI INST MATERIA MEDICA | 2014-12-17 | — | — | CN | disclosed |
| US-7687502-B2 | Substituted quinazoline or pyridopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-20080032996-A1 | Substituted Quinazoline or Pyridopyrimidine Derivative | MSD K.K. (JP) | 2008-02-07 | — | — | US | disclosed |
| EP-1734040-A1 | SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-12-20 | — | — | EP | 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-20080032996-A1 | Substituted Quinazoline or Pyridopyrimidine Derivative | GCK, GCKR, PDXK | TSHR 2323/4885ALDH1A1 1558/4885HSD17B10 2194/4885 |
“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.