Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.53 |
| ▸ | BACE1 | P56817 | 4/20 | 0.53 |
| ▸ | BCHE | P06276 | 2/20 | 0.53 |
| ▸ | CCR3 | P51677 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19689038 | 1.00 | ALDH1A1 (0.55) | ALDH1A1ACHEFUCA1BACE1BCHE | |
| SCHEMBL19450643 | 0.90 | ACHE (0.61) | ACHEBACE1BCHECCR3CYP1A2 | |
| SCHEMBL7775686 | 0.87 | ACHE (0.54) | ALDH1A1ACHEBACE1BCHECCR3 | |
| SCHEMBL7779863 | 0.87 | ACHE (0.54) | ALDH1A1ACHEBACE1BCHECCR3 | |
| SCHEMBL5980555 | 0.87 | ACHE (0.54) | ALDH1A1ACHEBACE1BCHECCR3 | |
| SCHEMBL7775764 | 0.87 | ACHE (0.54) | ALDH1A1ACHEBACE1BCHECCR3 | |
| SCHEMBL13326694 | 0.87 | ALDH1A1 (0.53) | ALDH1A1ACHEBACE1BCHECCR3 | |
| SCHEMBL10642802 | 0.86 | FUCA1 (0.65) | ALDH1A1FUCA1KDM4ESIGMAR1 | |
| SCHEMBL12459768 | 0.86 | ACHE (0.53) | ALDH1A1ACHEFUCA1BACE1BCHE | |
| SCHEMBL12459770 | 0.86 | ACHE (0.53) | ALDH1A1ACHEFUCA1BACE1BCHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9988382-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2018-06-05 | — | — | US | disclosed |
| US-9988382-B2 | [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2018-06-05 | — | — | US | disclosed |
| US-20170349586-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2017-12-07 | — | — | US | disclosed |
| US-20170349586-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2017-12-07 | — | — | 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 (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-20170349586-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A1 | ALDH1A1 495/4885ACHE 1203/4885FUCA1 4075/4885 |
“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.