Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7139910 | 0.92 | CYP3A4 (0.34) | CYP3A4KAT6ANOTUMKEAP1ALDH1A1 | |
| SCHEMBL6624341 | 0.89 | NOTUM (0.36) | CYP3A4NOTUMKEAP1KMT2AALDH1A1 | |
| SCHEMBL7704777 | 0.87 | ALDH1A1 (0.39) | CYP3A4ALDH1A1SMN1; SMN2TP53MAPT | |
| SCHEMBL6165283 | 0.84 | NOTUM (0.34) | CYP3A4NOTUMKEAP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7699016 | 0.84 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TP53MAPTTSHR | |
| SCHEMBL7705397 | 0.83 | KMT2A (0.40) | NOTUMKEAP1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL7139867 | 0.81 | KEAP1 (0.35) | NOTUMKEAP1KMT2AALDH1A1MEN1 | |
| SCHEMBL6163924 | 0.81 | KEAP1 (0.32) | CYP3A4KAT6ANOTUMKEAP1KMT2A | |
| SCHEMBL7704530 | 0.80 | DHODH (0.37) | KMT2AALDH1A1MEN1RAB9A | |
| SCHEMBL7146199 | 0.80 | ALDH1A1 (0.38) | CYP3A4KMT2AALDH1A1MEN1SMN1; SMN2 |
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-1224174-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |