Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | PPIB | P23284 | 1/20 | 0.35 |
| ▸ | PPIA | P62937 | 1/20 | 0.35 |
| ▸ | PPID | Q08752 | 1/20 | 0.35 |
| ▸ | PPIG | Q13427 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9232038 | 0.77 | CNR2 (0.34) | CYP1A2CYP3A4LMNAMAOAMMP8 | |
| SCHEMBL9233712 | 0.75 | KDM4E (0.37) | LMNAALDH1A1HSD17B10CNR2PIN1 | |
| SCHEMBL9231432 | 0.70 | THRB (0.39) | CYP3A4LMNAALDH1A1TSHRRECQL | |
| SCHEMBL604459 | 0.70 | MMP8 (0.61) | LMNAMMP8ALDH1A1TSHRPPID | |
| SCHEMBL10684512 | 0.70 | MMP8 (0.61) | LMNAMMP8ALDH1A1TSHRPPID | |
| SCHEMBL1831636 | 0.70 | MMP8 (0.61) | LMNAMMP8ALDH1A1TSHRPPID | |
| SCHEMBL571458 | 0.69 | POLB (0.40) | ALDH1A1MAPT | |
| SCHEMBL9386398 | 0.69 | BLM (0.63) | CYP1A2CYP3A4MMP8ALDH1A1HSD17B10 | |
| SCHEMBL9386400 | 0.69 | BLM (0.63) | CYP1A2CYP3A4MMP8ALDH1A1HSD17B10 | |
| SCHEMBL7563841 | 0.69 | ALDH1A1 (0.46) | CYP1A2CYP3A4LMNAMAOAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832074-B1 | AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | WARNER LAMBERT CO (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-1996040649-A1 | AMINO ACID DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |