Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | PPARA | Q07869 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8552039 | 0.75 | CA12 (0.44) | MAPK1 | |
| SCHEMBL6371340 | 0.75 | CYP3A4 (0.46) | CYP3A4TSHRTRPA1CYP1A2GABRA1 | |
| Butane SCHEMBL16872374 | 0.74 | CYP3A4 (0.62) | CYP3A4TSHRTRPA1CYP1A2GABRA1 | |
| SCHEMBL11241942 | 0.74 | PPARA (0.41) | PPARGPPARA | |
| SCHEMBL9310814 | 0.74 | SLC6A4 (0.41) | TSHRCYP1A2TDP1PPARGPPARA | |
| SCHEMBL2773412 | 0.73 | SLC6A4 (0.41) | PPARGPPARA | |
| SCHEMBL9111062 | 0.73 | ALDH1A3 (0.53) | CYP3A4TSHRTRPA1MAPK1TDP1 | |
| SCHEMBL991987 | 0.73 | CYP2C9 (0.50) | CYP3A4TSHRCYP1A2MAPK1 | |
| SCHEMBL414168 | 0.73 | CYP1A2 (0.50) | CYP3A4TSHRCYP1A2 | |
| SCHEMBL230798 | 0.72 | NQO1 (0.56) | CYP3A4TSHRCYP1A2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999064041-A9 | MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS | ADVANCED MEDICINE INC (US) | 2001-05-31 | — | — | WO | disclosed |
| EP-1100519-A1 | MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS | Advanced Medicine, Inc. (US) | 2001-05-23 | — | — | EP | disclosed |
| WO-1999064041-A1 | MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |