Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.37 |
| ▸ | OPA1 | O60313 | 1/20 | 0.36 |
| ▸ | EIF5B | O60841 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.33 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12572709 | 0.83 | HTR2C (0.39) | HTR2AHTR2CMTNR1AMTNR1BOPA1 | |
| Hydrochloric Acid SCHEMBL2019691 | 0.82 | HTR2C (0.38) | HTR2AHTR2CMTNR1AMTNR1BOPA1 | |
| SCHEMBL2016940 | 0.79 | HTR2C (0.38) | HTR2AHTR2CMTNR1AMTNR1BOPA1 | |
| SCHEMBL2018084 | 0.77 | HTR2C (0.37) | HTR2AHTR2CMTNR1AMTNR1BOPA1 | |
| SCHEMBL12475122 | 0.73 | HTR2A (0.39) | HTR2AHTR2CMTNR1AMTNR1BOPA1 | |
| SCHEMBL2019928 | 0.73 | HTR2A (0.41) | HTR2AHTR2CMTNR1AMTNR1BOPA1 | |
| SCHEMBL12572739 | 0.70 | CDC7 (0.47) | HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL2021469 | 0.69 | CDC7 (0.46) | HTR2AHTR2C | |
| SCHEMBL2017661 | 0.66 | NPC1 (0.40) | MTNR1AMTNR1B | |
| SCHEMBL2018600 | 0.65 | HTR2A (0.46) | HTR2AHTR2CMTNR1AMTNR1BOPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8563567-B2 | Substituted heterocyclic compounds | ARQULE, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-8563567-B2 | Substituted heterocyclic compounds | ARQULE, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| US-8563567-B2 | Substituted heterocyclic compounds | ARQULE, INC. (US) | 2013-10-22 | — | — | US | disclosed |
| WO-2011082266-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | ARQULE, INC. (US) | 2011-07-07 | — | — | WO | disclosed |
| US-20110160237-A1 | Substituted Heterocyclic Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160237-A1 | Substituted Heterocyclic Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20110160237-A1 | Substituted Heterocyclic Compounds | ARQULE, INC. (US) | 2011-06-30 | — | — | 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-20110160237-A1 | Substituted Heterocyclic Compounds | MKI67, CCNC, NQO1 | HTR2A 1440/4885HTR2C 632/4885MTNR1A 1539/4885 |
“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.