Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAPDH | P04406 | 2/20 | 0.32 |
| ▸ | HSPA1A | P0DMV8 | 2/20 | 0.32 |
| ▸ | HSPA8 | P11142 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MASP2 | O00187 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | JUND | P17535 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4712218 | 0.91 | GAPDH (0.33) | CYP3A4CYP2D6CYP2C19GAPDHHSPA1A | |
| SCHEMBL4713720 | 0.90 | GAPDH (0.35) | CYP3A4CYP2D6CYP2C19GAPDHHSPA1A | |
| SCHEMBL4713164 | 0.89 | GAPDH (0.32) | GAPDHHSPA1AHSPA8 | |
| SCHEMBL4715645 | 0.88 | GAPDH (0.33) | CYP3A4CYP2D6CYP2C19GAPDHHSPA1A | |
| SCHEMBL4714145 | 0.88 | GAPDH (0.33) | CYP3A4CYP2D6CYP2C19GAPDHHSPA1A | |
| SCHEMBL4712064 | 0.86 | GAPDH (0.42) | CYP3A4CYP2D6CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL4715612 | 0.86 | GAPDH (0.33) | CYP3A4CYP2D6CYP2C19GAPDHHSPA1A | |
| SCHEMBL4712096 | 0.82 | MEN1 (0.36) | CYP3A4CYP2D6CYP2C19GAPDHHSPA1A | |
| SCHEMBL4712642 | 0.80 | BRAF (0.34) | GAPDHHSPA1AHSPA8MEN1KMT2A | |
| SCHEMBL6823271 | 0.79 | GAPDH (0.35) | CYP3A4CYP2D6CYP2C19GAPDHHSPA1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1412361-B1 | SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS | GRUENENTHAL GMBH (DE) | 2008-07-23 | — | — | EP | disclosed |