Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.33 |
| ▸ | OXER1 | Q8TDS5 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | PPARA | Q07869 | 3/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22844620 | 0.86 | ALDH1A1 (0.38) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL22844508 | 0.86 | ADORA3 (0.36) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL22844600 | 0.81 | ADORA3 (0.38) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL6896756 | 0.80 | PTGS1 (0.40) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL10087817 | 0.76 | ALDH1A1 (0.48) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL17132403 | 0.76 | ALDH1A1 (0.48) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL20260606 | 0.75 | ALDH1A1 (0.33) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL20697507 | 0.72 | ALDH1A1 (0.33) | ADORA3NR1I2PTGS2PGRPDE4D | |
| SCHEMBL15483679 | 0.68 | MGLL (0.46) | ALDH1A1CNR1CNR2 | |
| SCHEMBL19500212 | 0.68 | ALDH1A1 (0.50) | ALDH1A1ALOX15HSD17B10GRM1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11518745-B2 | Heterocyclic compounds for the treatment of neurological and psychological disorders | ALKERMES PHARMA IRELAND LIMITED (IE) | 2022-12-06 | — | — | US | disclosed |
| US-20200407320-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT | 2020-12-31 | — | — | 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 (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-20200407320-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | GABBR1, GABBR2, GABRE | ADORA3 3086/4885NR1I2 277/4885PTGS2 2525/4885 |
| US-11518745-B2 | Heterocyclic compounds for the treatment of neurological and psychological disorders | GABBR1, GABBR2, GABRE | ADORA3 3086/4885NR1I2 277/4885PTGS2 2525/4885 |
“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.