Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7146199 | 0.93 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2NR3C2TP53MAPT | |
| SCHEMBL7705335 | 0.91 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TP53MAPTCYP3A4 | |
| SCHEMBL7699016 | 0.91 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2TP53MAPTLMNA | |
| SCHEMBL7703856 | 0.89 | CYP3A4 (0.37) | ALDH1A1SMN1; SMN2NR3C2TP53MAPT | |
| SCHEMBL7141959 | 0.87 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NR3C2TP53MAPT | |
| SCHEMBL7704182 | 0.87 | CYP3A4 (0.35) | ALDH1A1SMN1; SMN2TP53MAPTCYP3A4 | |
| SCHEMBL7143546 | 0.84 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2TP53MAPTLMNA | |
| SCHEMBL7141292 | 0.83 | MAPT (0.36) | ALDH1A1SMN1; SMN2NR3C2TP53MAPT | |
| SCHEMBL5868865 | 0.81 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2NR3C2TP53MAPT | |
| SCHEMBL7703510 | 0.81 | VCP (0.41) | — |
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 |