Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.65 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.65 |
| ▸ | PGR | P06401 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.65 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | FAAH | O00519 | 2/20 | 0.52 |
| ▸ | DGKA | P23743 | 1/20 | 0.51 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.49 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.49 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.49 |
| ▸ | PRKCA | P17252 | 1/20 | 0.49 |
| ▸ | F7 | P08709 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | F3 | P13726 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16675426 | 0.95 | ADORA3 (0.73) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL6898815 | 0.93 | ALDH1A1 (0.67) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL12437840 | 0.93 | ALDH1A1 (0.67) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL12116643 | 0.93 | ALDH1A1 (0.67) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL6895172 | 0.89 | FAAH (0.56) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL12116659 | 0.89 | FAAH (0.56) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL6896718 | 0.89 | ADORA3 (0.50) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL6898192 | 0.89 | ADORA3 (0.50) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL1413230 | 0.89 | ALDH1A1 (0.75) | ADORA3NR1I2PGRPTGS2PDE4D | |
| SCHEMBL6895087 | 0.88 | FAAH (0.67) | ALDH1A1TDP1FAAHDGKAPRKCE |
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-9670200-B2 | Quaternary ammonium salt prodrugs | ALKERMES PHARMA IRELAND LIMITED (IE) | 2017-06-06 | — | — | US | disclosed |
| US-20110178068-A1 | Quaternary Ammonium Salt Prodrugs | ALKERMES, INC. (US) | 2011-07-21 | — | — | US | disclosed |
| US-20110166128-A1 | Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders | ALKERMES, INC. (US) | 2011-07-07 | — | — | 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-20110178068-A1 | Quaternary Ammonium Salt Prodrugs | SLC1A5, IDH1, ASS1 | ADORA3 31/4885NR1I2 2032/4885PGR 2472/4885 |
| US-20110166128-A1 | Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders | HTR5A, HTR2C, HTR2B | ADORA3 890/4885NR1I2 241/4885PGR 986/4885 |
“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.