Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | GABBR2 | O75899 | 4/20 | 0.37 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GRM8 | O00222 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL349306 | 0.81 | GABBR2 (0.56) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL11078290 | 0.80 | TAAR1 (0.48) | CES2CES1GABBR2GABBR1PNMT | |
| SCHEMBL351660 | 0.78 | GABBR2 (0.57) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL350645 | 0.78 | GABBR2 (0.38) | GABBR2GABBR1LMNACYP2C9CYP3A4 | |
| SCHEMBL350711 | 0.78 | GABBR2 (0.56) | GABBR2GABBR1TAAR1LMNACYP2C9 | |
| SCHEMBL28855333 | 0.75 | TAAR1 (0.40) | CES2CES1GABBR2GABBR1PNMT | |
| SCHEMBL350238 | 0.74 | ALDH1A1 (0.47) | ACP3CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL340533 | 0.73 | PNMT (0.39) | CES2CES1GABBR2GABBR1PNMT | |
| SCHEMBL3748443 | 0.71 | ALDH1A1 (0.46) | CES2CES1PNMTTAAR1IDO1 | |
| SCHEMBL11082091 | 0.70 | TAAR1 (0.39) | TAAR1LMNACYP2C9CYP3A4NFKB1 |
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-20120016021-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2012009646-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | WO | 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-20120016021-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | GABBR2, GABBR1, GABRB1 | CES2 4310/4885CES1 4519/4885GABBR2 1/4885 |
“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.