Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15867097 | 0.87 | ACHE (0.57) | ACHEHTTKDM4EPOLBCYP1A2 | |
| SCHEMBL21757362 | 0.84 | GALR3 (0.42) | KDM4EPOLBCYP1A2MAPTSMN1; SMN2 | |
| SCHEMBL6064319 | 0.83 | ACHE (0.53) | ACHEHTTKDM4EPOLBCYP1A2 | |
| SCHEMBL9788676 | 0.83 | TNFSF11 (0.55) | ACHEHTTKDM4EPOLBCYP1A2 | |
| SCHEMBL16748378 | 0.80 | CYP1A2 (0.55) | ACHEHTTKDM4EPOLBCYP1A2 | |
| SCHEMBL23094468 | 0.79 | KDM4E (0.45) | ACHEHTTKDM4EPOLBMAPT | |
| SCHEMBL28782493 | 0.79 | ACHE (0.47) | ACHEHTTKDM4EPOLBCYP1A2 | |
| SCHEMBL26009129 | 0.79 | TNFSF11 (0.57) | ACHEHTTKDM4EPOLBCYP1A2 | |
| SCHEMBL167967 | 0.79 | POLB (0.51) | ACHEHTTKDM4EPOLBPKM | |
| SCHEMBL7711467 | 0.78 | ACHE (0.49) | ACHEHTTKDM4EPOLBCYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114409664-A | Spiro-heterocyclic tetrahydropyran compound and preparation method and application thereof | 河北威远生物化工有限公司 | 2022-04-29 | — | — | CN | disclosed |
| EP-3124486-B1 | SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OF ANTITUMOR THEREOF | UNIV ZHEJIANG (CN) | 2020-12-09 | — | — | EP | disclosed |
| US-10233180-B2 | Substituted nitrogen-containing heterocyclic derivatives, pharmaceutical compositions comprising the same and applications of antitumor thereof | ZHEJIANG UNIVERSITY (CN) | 2019-03-19 | — | — | US | disclosed |
| US-20170107213-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OFANTITUMOR THEREOF | ZHEJIANG UNIVERSITY (CN) | 2017-04-20 | — | — | US | disclosed |
| EP-3124486-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OF ANTITUMOR THEREOF | Zhejiang University (CN) | 2017-02-01 | — | — | 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 (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-20170107213-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OFANTITUMOR THEREOF | AKT1, RELA, AKT3 | ACHE 2577/4885HTT 3127/4885KDM4E 2161/4885 |
| US-10233180-B2 | Substituted nitrogen-containing heterocyclic derivatives, pharmaceutical compositions comprising the same and applications of antitumor thereof | AKT1, AKT3, RELA | ACHE 2055/4885HTT 3494/4885KDM4E 1949/4885 |
“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.